2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate

C172H199N25O15S — CID 161485531

IUPAC2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@@H]2CCc3ccccc3[C@@H]2Cc2cccnc2)C1.O=C(CN1CCC(NC(=O)Nc2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(CN1CCC(NC(=O)Oc2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(CN1CCC(NC(=O)c2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(Cc1ccccc1)NC1CCN(CC(=O)N[C@@H]2CCc3ccccc3[C@@H]2Cc2cccnc2)C1
InChIInChI=1S/C30H34N4O2.C29H33N5O2.C29H32N4O3.C29H32N4O2.C28H32N4O3S.C27H36N4O3/c35-29(18-22-7-2-1-3-8-22)32-25-14-16-34(20-25)21-30(36)33-28-13-12-24-10-4-5-11-26(24)27(28)17-23-9-6-15-31-19-23;35-28(20-34-16-14-24(19-34)32-29(36)31-23-9-2-1-3-10-23)33-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21;34-28(20-33-16-14-23(19-33)31-29(35)36-24-9-2-1-3-10-24)32-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21;34-28(20-33-16-14-24(19-33)31-29(35)23-9-2-1-3-10-23)32-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21;33-28(20-32-16-14-23(19-32)31-36(34,35)24-9-2-1-3-10-24)30-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-29-18-21;1-27(2,3)34-26(33)29-21-12-14-31(17-21)18-25(32)30-24-11-10-20-8-4-5-9-22(20)23(24)15-19-7-6-13-28-16-19/h1-11,15,19,25,27-28H,12-14,16-18,20-21H2,(H,32,35)(H,33,36);1-11,15,18,24,26-27H,12-14,16-17,19-20H2,(H,33,35)(H2,31,32,36);1-11,15,18,23,26-27H,12-14,16-17,19-20H2,(H,31,35)(H,32,34);1-11,15,18,24,26-27H,12-14,16-17,19-20H2,(H,31,35)(H,32,34);1-11,15,18,23,26-27,31H,12-14,16-17,19-20H2,(H,30,33);4-9,13,16,21,23-24H,10-12,14-15,17-18H2,1-3H3,(H,29,33)(H,30,32)/t25?,27-,28+;24?,26-,27+;23?,26-,27+;24?,26-,27+;23?,26-,27+;21?,23-,24+/m000000/s1
InChIKeyWEXSGMMMCWTGPC-FJLRVJNXSA-N
MW2888.71 g/mol
LogP20.38
Rot. Bonds43

About 2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate

2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate (PubChem CID 161485531) has the molecular formula C172H199N25O15S and a molecular weight of 2888.71 g/mol. Its IUPAC name is 2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate
PubChem CID161485531
Molecular FormulaC172H199N25O15S
Molecular Weight2888.71 g/mol
Exact Mass2886.53
IUPAC Name2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@@H]2CCc3ccccc3[C@@H]2Cc2cccnc2)C1.O=C(CN1CCC(NC(=O)Nc2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(CN1CCC(NC(=O)Oc2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(CN1CCC(NC(=O)c2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(Cc1ccccc1)NC1CCN(CC(=O)N[C@@H]2CCc3ccccc3[C@@H]2Cc2cccnc2)C1
InChIInChI=1S/C30H34N4O2.C29H33N5O2.C29H32N4O3.C29H32N4O2.C28H32N4O3S.C27H36N4O3/c35-29(18-22-7-2-1-3-8-22)32-25-14-16-34(20-25)21-30(36)33-28-13-12-24-10-4-5-11-26(24)27(28)17-23-9-6-15-31-19-23;35-28(20-34-16-14-24(19-34)32-29(36)31-23-9-2-1-3-10-23)33-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21;34-28(20-33-16-14-23(19-33)31-29(35)36-24-9-2-1-3-10-24)32-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21;34-28(20-33-16-14-24(19-33)31-29(35)23-9-2-1-3-10-23)32-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21;33-28(20-32-16-14-23(19-32)31-36(34,35)24-9-2-1-3-10-24)30-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-29-18-21;1-27(2,3)34-26(33)29-21-12-14-31(17-21)18-25(32)30-24-11-10-20-8-4-5-9-22(20)23(24)15-19-7-6-13-28-16-19/h1-11,15,19,25,27-28H,12-14,16-18,20-21H2,(H,32,35)(H,33,36);1-11,15,18,24,26-27H,12-14,16-17,19-20H2,(H,33,35)(H2,31,32,36);1-11,15,18,23,26-27H,12-14,16-17,19-20H2,(H,31,35)(H,32,34);1-11,15,18,24,26-27H,12-14,16-17,19-20H2,(H,31,35)(H,32,34);1-11,15,18,23,26-27,31H,12-14,16-17,19-20H2,(H,30,33);4-9,13,16,21,23-24H,10-12,14-15,17-18H2,1-3H3,(H,29,33)(H,30,32)/t25?,27-,28+;24?,26-,27+;23?,26-,27+;24?,26-,27+;23?,26-,27+;21?,23-,24+/m000000/s1
InChIKeyWEXSGMMMCWTGPC-FJLRVJNXSA-N
XLogP20.38
TPSA493.54 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds43
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002888.71
LogP ≤ 520.38
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Analyze 2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of 2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate (CID 161485531) is 2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for 2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for 2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@@H]2CCc3ccccc3[C@@H]2Cc2cccnc2)C1.O=C(CN1CCC(NC(=O)Nc2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(CN1CCC(NC(=O)Oc2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(CN1CCC(NC(=O)c2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2)C1)N[C@@H]1CCc2ccccc2[C@@H]1Cc1cccnc1.O=C(Cc1ccccc1)NC1CCN(CC(=O)N[C@@H]2CCc3ccccc3[C@@H]2Cc2cccnc2)C1.
What is the InChIKey of 2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate?
The InChIKey is WEXSGMMMCWTGPC-FJLRVJNXSA-N. The full InChI is InChI=1S/C30H34N4O2.C29H33N5O2.C29H32N4O3.C29H32N4O2.C28H32N4O3S.C27H36N4O3/c35-29(18-22-7-2-1-3-8-22)32-25-14-16-34(20-25)21-30(36)33-28-13-12-24-10-4-5-11-26(24)27(28)17-23-9-6-15-31-19-23;35-28(20-34-16-14-24(19-34)32-29(36)31-23-9-2-1-3-10-23)33-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21;34-28(20-33-16-14-23(19-33)31-29(35)36-24-9-2-1-3-10-24)32-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21;34-28(20-33-16-14-24(19-33)31-29(35)23-9-2-1-3-10-23)32-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-30-18-21;33-28(20-32-16-14-23(19-32)31-36(34,35)24-9-2-1-3-10-24)30-27-13-12-22-8-4-5-11-25(22)26(27)17-21-7-6-15-29-18-21;1-27(2,3)34-26(33)29-21-12-14-31(17-21)18-25(32)30-24-11-10-20-8-4-5-9-22(20)23(24)15-19-7-6-13-28-16-19/h1-11,15,19,25,27-28H,12-14,16-18,20-21H2,(H,32,35)(H,33,36);1-11,15,18,24,26-27H,12-14,16-17,19-20H2,(H,33,35)(H2,31,32,36);1-11,15,18,23,26-27H,12-14,16-17,19-20H2,(H,31,35)(H,32,34);1-11,15,18,24,26-27H,12-14,16-17,19-20H2,(H,31,35)(H,32,34);1-11,15,18,23,26-27,31H,12-14,16-17,19-20H2,(H,30,33);4-9,13,16,21,23-24H,10-12,14-15,17-18H2,1-3H3,(H,29,33)(H,30,32)/t25?,27-,28+;24?,26-,27+;23?,26-,27+;24?,26-,27+;23?,26-,27+;21?,23-,24+/m000000/s1.
What are the key properties of 2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate?
2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate has a molecular weight of 2888.71 g/mol, XLogP of 20.38, 43 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonamido)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]benzamide;N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]-2-phenylacetamide;2-[3-(phenylcarbamoylamino)pyrrolidin-1-yl]-N-[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;phenyl N-[1-[2-oxo-2-[[(1S,2R)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 161485531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).