N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone

C145H225N11O25S7 — CID 157273891

IUPACN-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCC(C)(C)NC(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(CC(=O)C3CCCCC3)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1.CCC(C)NC(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.Cc1cc(C(=O)NC(C)C)c(C)c(C)c1CC(=O)N1CCC(CS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C26H39NO4S.C25H38N2O4S.C25H40N2O4S.C23H36N2O5S2.2C23H36N2O4S/c1-26(2,3)32(30,31)19-20-12-14-27(15-13-20)25(29)18-22-9-7-8-21(16-22)17-24(28)23-10-5-4-6-11-23;1-25(2,3)32(30,31)18-20-13-15-27(16-14-20)23(28)17-19-9-11-22(12-10-19)26-24(29)21-7-5-4-6-8-21;1-16(2)26-24(29)22-13-17(3)21(18(4)19(22)5)14-23(28)27-11-9-20(10-12-27)15-32(30,31)25(6,7)8;1-23(2,3)31(27,28)18-19-10-14-24(15-11-19)22(26)17-20-8-7-9-21(16-20)32(29,30)25-12-5-4-6-13-25;1-22(2,3)24-21(27)19-9-7-17(8-10-19)15-20(26)25-13-11-18(12-14-25)16-30(28,29)23(4,5)6;1-6-17(2)24-22(27)20-9-7-18(8-10-20)15-21(26)25-13-11-19(12-14-25)16-30(28,29)23(3,4)5/h7-9,16,20,23H,4-6,10-15,17-19H2,1-3H3;9-12,20-21H,4-8,13-18H2,1-3H3,(H,26,29);13,16,20H,9-12,14-15H2,1-8H3,(H,26,29);7-9,16,19H,4-6,10-15,17-18H2,1-3H3;7-10,18H,11-16H2,1-6H3,(H,24,27);7-10,17,19H,6,11-16H2,1-5H3,(H,24,27)
InChIKeyAYVZKINLECMPDX-UHFFFAOYSA-N
MW2746.92 g/mol
LogP21.59
Rot. Bonds37

About N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone

N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone (PubChem CID 157273891) has the molecular formula C145H225N11O25S7 and a molecular weight of 2746.92 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone
PubChem CID157273891
Molecular FormulaC145H225N11O25S7
Molecular Weight2746.92 g/mol
Exact Mass2744.47
IUPAC NameN-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCC(C)(C)NC(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(CC(=O)C3CCCCC3)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1.CCC(C)NC(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.Cc1cc(C(=O)NC(C)C)c(C)c(C)c1CC(=O)N1CCC(CS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C26H39NO4S.C25H38N2O4S.C25H40N2O4S.C23H36N2O5S2.2C23H36N2O4S/c1-26(2,3)32(30,31)19-20-12-14-27(15-13-20)25(29)18-22-9-7-8-21(16-22)17-24(28)23-10-5-4-6-11-23;1-25(2,3)32(30,31)18-20-13-15-27(16-14-20)23(28)17-19-9-11-22(12-10-19)26-24(29)21-7-5-4-6-8-21;1-16(2)26-24(29)22-13-17(3)21(18(4)19(22)5)14-23(28)27-11-9-20(10-12-27)15-32(30,31)25(6,7)8;1-23(2,3)31(27,28)18-19-10-14-24(15-11-19)22(26)17-20-8-7-9-21(16-20)32(29,30)25-12-5-4-6-13-25;1-22(2,3)24-21(27)19-9-7-17(8-10-19)15-20(26)25-13-11-18(12-14-25)16-30(28,29)23(4,5)6;1-6-17(2)24-22(27)20-9-7-18(8-10-20)15-21(26)25-13-11-19(12-14-25)16-30(28,29)23(3,4)5/h7-9,16,20,23H,4-6,10-15,17-19H2,1-3H3;9-12,20-21H,4-8,13-18H2,1-3H3,(H,26,29);13,16,20H,9-12,14-15H2,1-8H3,(H,26,29);7-9,16,19H,4-6,10-15,17-18H2,1-3H3;7-10,18H,11-16H2,1-6H3,(H,24,27);7-10,17,19H,6,11-16H2,1-5H3,(H,24,27)
InChIKeyAYVZKINLECMPDX-UHFFFAOYSA-N
XLogP21.59
TPSA497.55 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds37
Heavy Atoms188
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002746.92
LogP ≤ 521.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone (CID 157273891) is N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone is CC(C)(C)NC(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(CC(=O)C3CCCCC3)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1.CCC(C)NC(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.Cc1cc(C(=O)NC(C)C)c(C)c(C)c1CC(=O)N1CCC(CS(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is AYVZKINLECMPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO4S.C25H38N2O4S.C25H40N2O4S.C23H36N2O5S2.2C23H36N2O4S/c1-26(2,3)32(30,31)19-20-12-14-27(15-13-20)25(29)18-22-9-7-8-21(16-22)17-24(28)23-10-5-4-6-11-23;1-25(2,3)32(30,31)18-20-13-15-27(16-14-20)23(28)17-19-9-11-22(12-10-19)26-24(29)21-7-5-4-6-8-21;1-16(2)26-24(29)22-13-17(3)21(18(4)19(22)5)14-23(28)27-11-9-20(10-12-27)15-32(30,31)25(6,7)8;1-23(2,3)31(27,28)18-19-10-14-24(15-11-19)22(26)17-20-8-7-9-21(16-20)32(29,30)25-12-5-4-6-13-25;1-22(2,3)24-21(27)19-9-7-17(8-10-19)15-20(26)25-13-11-18(12-14-25)16-30(28,29)23(4,5)6;1-6-17(2)24-22(27)20-9-7-18(8-10-20)15-21(26)25-13-11-19(12-14-25)16-30(28,29)23(3,4)5/h7-9,16,20,23H,4-6,10-15,17-19H2,1-3H3;9-12,20-21H,4-8,13-18H2,1-3H3,(H,26,29);13,16,20H,9-12,14-15H2,1-8H3,(H,26,29);7-9,16,19H,4-6,10-15,17-18H2,1-3H3;7-10,18H,11-16H2,1-6H3,(H,24,27);7-10,17,19H,6,11-16H2,1-5H3,(H,24,27).
What are the key properties of N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone?
N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 2746.92 g/mol, XLogP of 21.59, 37 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 157273891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).