N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide

C131H130F5N13O24S5 — CID 167702985

IUPACN-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide
SMILESCCNS(=O)(=O)c1ccc(CC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)c(OC)c1.COc1cc(S(=O)(=O)NC2COC2)ccc1CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC23CC(C2)C3)cc1)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC2CCC2)cc1)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC2COC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C27H26FN3O4S.C27H27FN2O6S.C26H26FN3O4S.C26H27FN2O5S.C25H24FN3O5S/c28-21-8-6-20(7-9-21)26(33)30-24(14-22-3-1-2-12-29-22)25(32)13-18-4-10-23(11-5-18)36(34,35)31-27-15-19(16-27)17-27;1-35-26-15-23(37(33,34)30-22-16-36-17-22)12-9-20(26)14-25(31)24(13-18-5-3-2-4-6-18)29-27(32)19-7-10-21(28)11-8-19;27-20-11-9-19(10-12-20)26(32)29-24(17-22-4-1-2-15-28-22)25(31)16-18-7-13-23(14-8-18)35(33,34)30-21-5-3-6-21;1-3-28-35(32,33)22-14-11-20(25(17-22)34-2)16-24(30)23(15-18-7-5-4-6-8-18)29-26(31)19-9-12-21(27)13-10-19;26-19-8-6-18(7-9-19)25(31)28-23(14-20-3-1-2-12-27-20)24(30)13-17-4-10-22(11-5-17)35(32,33)29-21-15-34-16-21/h1-12,19,24,31H,13-17H2,(H,30,33);2-12,15,22,24,30H,13-14,16-17H2,1H3,(H,29,32);1-2,4,7-15,21,24,30H,3,5-6,16-17H2,(H,29,32);4-14,17,23,28H,3,15-16H2,1-2H3,(H,29,31);1-12,21,23,29H,13-16H2,(H,28,31)/t19?,24-,27?;2*24-;2*23-/m00000/s1
InChIKeyYREZGFFYDDTQCV-HSCFBGQPSA-N
MW2525.87 g/mol
LogP14.41
Rot. Bonds52

About N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide

N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide (PubChem CID 167702985) has the molecular formula C131H130F5N13O24S5 and a molecular weight of 2525.87 g/mol. Its IUPAC name is N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide
PubChem CID167702985
Molecular FormulaC131H130F5N13O24S5
Molecular Weight2525.87 g/mol
Exact Mass2523.79
IUPAC NameN-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide
SMILESCCNS(=O)(=O)c1ccc(CC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)c(OC)c1.COc1cc(S(=O)(=O)NC2COC2)ccc1CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC23CC(C2)C3)cc1)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC2CCC2)cc1)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC2COC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C27H26FN3O4S.C27H27FN2O6S.C26H26FN3O4S.C26H27FN2O5S.C25H24FN3O5S/c28-21-8-6-20(7-9-21)26(33)30-24(14-22-3-1-2-12-29-22)25(32)13-18-4-10-23(11-5-18)36(34,35)31-27-15-19(16-27)17-27;1-35-26-15-23(37(33,34)30-22-16-36-17-22)12-9-20(26)14-25(31)24(13-18-5-3-2-4-6-18)29-27(32)19-7-10-21(28)11-8-19;27-20-11-9-19(10-12-20)26(32)29-24(17-22-4-1-2-15-28-22)25(31)16-18-7-13-23(14-8-18)35(33,34)30-21-5-3-6-21;1-3-28-35(32,33)22-14-11-20(25(17-22)34-2)16-24(30)23(15-18-7-5-4-6-8-18)29-26(31)19-9-12-21(27)13-10-19;26-19-8-6-18(7-9-19)25(31)28-23(14-20-3-1-2-12-27-20)24(30)13-17-4-10-22(11-5-17)35(32,33)29-21-15-34-16-21/h1-12,19,24,31H,13-17H2,(H,30,33);2-12,15,22,24,30H,13-14,16-17H2,1H3,(H,29,32);1-2,4,7-15,21,24,30H,3,5-6,16-17H2,(H,29,32);4-14,17,23,28H,3,15-16H2,1-2H3,(H,29,31);1-12,21,23,29H,13-16H2,(H,28,31)/t19?,24-,27?;2*24-;2*23-/m00000/s1
InChIKeyYREZGFFYDDTQCV-HSCFBGQPSA-N
XLogP14.41
TPSA537.29 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds52
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002525.87
LogP ≤ 514.41
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide 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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide (CID 167702985) is N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide is CCNS(=O)(=O)c1ccc(CC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)c(OC)c1.COc1cc(S(=O)(=O)NC2COC2)ccc1CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC23CC(C2)C3)cc1)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC2CCC2)cc1)c1ccc(F)cc1.O=C(N[C@@H](Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)NC2COC2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide?
The InChIKey is YREZGFFYDDTQCV-HSCFBGQPSA-N. The full InChI is InChI=1S/C27H26FN3O4S.C27H27FN2O6S.C26H26FN3O4S.C26H27FN2O5S.C25H24FN3O5S/c28-21-8-6-20(7-9-21)26(33)30-24(14-22-3-1-2-12-29-22)25(32)13-18-4-10-23(11-5-18)36(34,35)31-27-15-19(16-27)17-27;1-35-26-15-23(37(33,34)30-22-16-36-17-22)12-9-20(26)14-25(31)24(13-18-5-3-2-4-6-18)29-27(32)19-7-10-21(28)11-8-19;27-20-11-9-19(10-12-20)26(32)29-24(17-22-4-1-2-15-28-22)25(31)16-18-7-13-23(14-8-18)35(33,34)30-21-5-3-6-21;1-3-28-35(32,33)22-14-11-20(25(17-22)34-2)16-24(30)23(15-18-7-5-4-6-8-18)29-26(31)19-9-12-21(27)13-10-19;26-19-8-6-18(7-9-19)25(31)28-23(14-20-3-1-2-12-27-20)24(30)13-17-4-10-22(11-5-17)35(32,33)29-21-15-34-16-21/h1-12,19,24,31H,13-17H2,(H,30,33);2-12,15,22,24,30H,13-14,16-17H2,1H3,(H,29,32);1-2,4,7-15,21,24,30H,3,5-6,16-17H2,(H,29,32);4-14,17,23,28H,3,15-16H2,1-2H3,(H,29,31);1-12,21,23,29H,13-16H2,(H,28,31)/t19?,24-,27?;2*24-;2*23-/m00000/s1.
What are the key properties of N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide?
N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide has a molecular weight of 2525.87 g/mol, XLogP of 14.41, 52 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[4-(1-bicyclo[1.1.1]pentanylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(cyclobutylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]-4-fluorobenzamide;N-[(2S)-4-[4-(ethylsulfamoyl)-2-methoxyphenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-4-[2-methoxy-4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;4-fluoro-N-[(2S)-4-[4-(oxetan-3-ylsulfamoyl)phenyl]-3-oxo-1-pyridin-2-ylbutan-2-yl]benzamide is sourced from PubChem (CID 167702985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).