1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea

C149H132F10N18O18S5 — CID 158599163

IUPAC1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
SMILESC=C(NC1CC1)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(C#N)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(C(=O)OC(C)(C)C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccnc(C)c1C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1coc2ccccc12
InChIInChI=1S/C32H30F2N4O3S.C32H31F2N3O5S.C29H23F2N3O4S.C28H26F2N4O3S.C28H22F2N4O3S/c1-20-7-3-4-11-30(20)42(40,41)38-32(39)37-29(17-22-15-25(33)19-26(34)16-22)31-28(10-6-14-35-31)24-9-5-8-23(18-24)21(2)36-27-12-13-27;1-20-9-5-6-13-28(20)43(40,41)37-31(39)36-27(17-21-15-24(33)19-25(34)16-21)29-26(12-8-14-35-29)22-10-7-11-23(18-22)30(38)42-32(2,3)4;1-18-7-2-5-11-27(18)39(36,37)34-29(35)33-25(15-19-13-20(30)16-21(31)14-19)28-23(9-6-12-32-28)24-17-38-26-10-4-3-8-22(24)26;1-17-7-4-5-9-26(17)38(36,37)34-28(35)33-25(15-20-13-21(29)16-22(30)14-20)27-24(8-6-11-32-27)23-10-12-31-19(3)18(23)2;1-18-5-2-3-7-26(18)38(36,37)34-28(35)33-25(15-20-13-22(29)16-23(30)14-20)27-24(6-4-12-32-27)21-10-8-19(17-31)9-11-21/h3-11,14-16,18-19,27,29,36H,2,12-13,17H2,1H3,(H2,37,38,39);5-16,18-19,27H,17H2,1-4H3,(H2,36,37,39);2-14,16-17,25H,15H2,1H3,(H2,33,34,35);4-14,16,25H,15H2,1-3H3,(H2,33,34,35);2-14,16,25H,15H2,1H3,(H2,33,34,35)/t29-;27-;3*25-/m00000/s1
InChIKeyHVKJKLYJDUQWFV-FZHYKKJPSA-N
MW2813.12 g/mol
LogP28.84
Rot. Bonds39

About 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea

1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea (PubChem CID 158599163) has the molecular formula C149H132F10N18O18S5 and a molecular weight of 2813.12 g/mol. Its IUPAC name is 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
PubChem CID158599163
Molecular FormulaC149H132F10N18O18S5
Molecular Weight2813.12 g/mol
Exact Mass2810.84
IUPAC Name1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
SMILESC=C(NC1CC1)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(C#N)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(C(=O)OC(C)(C)C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccnc(C)c1C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1coc2ccccc12
InChIInChI=1S/C32H30F2N4O3S.C32H31F2N3O5S.C29H23F2N3O4S.C28H26F2N4O3S.C28H22F2N4O3S/c1-20-7-3-4-11-30(20)42(40,41)38-32(39)37-29(17-22-15-25(33)19-26(34)16-22)31-28(10-6-14-35-31)24-9-5-8-23(18-24)21(2)36-27-12-13-27;1-20-9-5-6-13-28(20)43(40,41)37-31(39)36-27(17-21-15-24(33)19-25(34)16-21)29-26(12-8-14-35-29)22-10-7-11-23(18-22)30(38)42-32(2,3)4;1-18-7-2-5-11-27(18)39(36,37)34-29(35)33-25(15-19-13-20(30)16-21(31)14-19)28-23(9-6-12-32-28)24-17-38-26-10-4-3-8-22(24)26;1-17-7-4-5-9-26(17)38(36,37)34-28(35)33-25(15-20-13-21(29)16-22(30)14-20)27-24(8-6-11-32-27)23-10-12-31-19(3)18(23)2;1-18-5-2-3-7-26(18)38(36,37)34-28(35)33-25(15-20-13-22(29)16-23(30)14-20)27-24(6-4-12-32-27)21-10-8-19(17-31)9-11-21/h3-11,14-16,18-19,27,29,36H,2,12-13,17H2,1H3,(H2,37,38,39);5-16,18-19,27H,17H2,1-4H3,(H2,36,37,39);2-14,16-17,25H,15H2,1H3,(H2,33,34,35);4-14,16,25H,15H2,1-3H3,(H2,33,34,35);2-14,16,25H,15H2,1H3,(H2,33,34,35)/t29-;27-;3*25-/m00000/s1
InChIKeyHVKJKLYJDUQWFV-FZHYKKJPSA-N
XLogP28.84
TPSA528.95 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds39
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002813.12
LogP ≤ 528.84
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1S)-1-[3-(benzofuran-3-yl)-2-pyridyl]-2-(3,5-difluorophenyl)ethyl]-3-(o-tolylsulfonyl)urea
CID 118950628
1-[1-[3-(1-Benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950629
1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
CID 158335643
tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(1-hydroxyethenyl)phenyl]-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoronaphthalen-1-yl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
CID 159874641

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea (CID 158599163) is 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea is C=C(NC1CC1)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(C#N)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(C(=O)OC(C)(C)C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccnc(C)c1C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1coc2ccccc12.
What is the InChIKey of 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea?
The InChIKey is HVKJKLYJDUQWFV-FZHYKKJPSA-N. The full InChI is InChI=1S/C32H30F2N4O3S.C32H31F2N3O5S.C29H23F2N3O4S.C28H26F2N4O3S.C28H22F2N4O3S/c1-20-7-3-4-11-30(20)42(40,41)38-32(39)37-29(17-22-15-25(33)19-26(34)16-22)31-28(10-6-14-35-31)24-9-5-8-23(18-24)21(2)36-27-12-13-27;1-20-9-5-6-13-28(20)43(40,41)37-31(39)36-27(17-21-15-24(33)19-25(34)16-21)29-26(12-8-14-35-29)22-10-7-11-23(18-22)30(38)42-32(2,3)4;1-18-7-2-5-11-27(18)39(36,37)34-29(35)33-25(15-19-13-20(30)16-21(31)14-19)28-23(9-6-12-32-28)24-17-38-26-10-4-3-8-22(24)26;1-17-7-4-5-9-26(17)38(36,37)34-28(35)33-25(15-20-13-21(29)16-22(30)14-20)27-24(8-6-11-32-27)23-10-12-31-19(3)18(23)2;1-18-5-2-3-7-26(18)38(36,37)34-28(35)33-25(15-20-13-22(29)16-23(30)14-20)27-24(6-4-12-32-27)21-10-8-19(17-31)9-11-21/h3-11,14-16,18-19,27,29,36H,2,12-13,17H2,1H3,(H2,37,38,39);5-16,18-19,27H,17H2,1-4H3,(H2,36,37,39);2-14,16-17,25H,15H2,1H3,(H2,33,34,35);4-14,16,25H,15H2,1-3H3,(H2,33,34,35);2-14,16,25H,15H2,1H3,(H2,33,34,35)/t29-;27-;3*25-/m00000/s1.
What are the key properties of 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea?
1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea has a molecular weight of 2813.12 g/mol, XLogP of 28.84, 39 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea is sourced from PubChem (CID 158599163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).