N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide

C25H29N3O4S2 — CID 45488865

IUPACN-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(CC(O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1ccsc1
InChIInChI=1S/C25H29N3O4S2/c29-23(17-27-13-11-22(16-27)26-25(30)21-12-14-33-19-21)18-28(15-20-7-3-1-4-8-20)34(31,32)24-9-5-2-6-10-24/h1-10,12,14,19,22-23,29H,11,13,15-18H2,(H,26,30)
InChIKeyNSGCVNDTOOTUJZ-UHFFFAOYSA-N
MW499.66 g/mol
LogP2.80
Rot. Bonds10

About N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide

N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide (PubChem CID 45488865) has the molecular formula C25H29N3O4S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide
PubChem CID45488865
Molecular FormulaC25H29N3O4S2
Molecular Weight499.66 g/mol
Exact Mass499.16
IUPAC NameN-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(CC(O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1ccsc1
InChIInChI=1S/C25H29N3O4S2/c29-23(17-27-13-11-22(16-27)26-25(30)21-12-14-33-19-21)18-28(15-20-7-3-1-4-8-20)34(31,32)24-9-5-2-6-10-24/h1-10,12,14,19,22-23,29H,11,13,15-18H2,(H,26,30)
InChIKeyNSGCVNDTOOTUJZ-UHFFFAOYSA-N
XLogP2.80
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide 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

4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 5105832
CID 6603385
CID 6603385
(E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[2-thienylmethyl-(2,4,5-trifluorophenyl)sulfonyl-amino]propyl]-4-oxo-pent-2-enamide
CID 15947391
3-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
CID 18574881
N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-2-{4-[(thiophen-2-ylmethanesulfonylamino)-methyl]-phenyl}-acetamide
CID 44399648
N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]benzamide
CID 45488362
N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 45488397
N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 45489202
N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4878462
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 16249702
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16286063

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide (CID 45488865) is N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide is O=C(NC1CCN(CC(O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1ccsc1.
What is the InChIKey of N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide?
The InChIKey is NSGCVNDTOOTUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S2/c29-23(17-27-13-11-22(16-27)26-25(30)21-12-14-33-19-21)18-28(15-20-7-3-1-4-8-20)34(31,32)24-9-5-2-6-10-24/h1-10,12,14,19,22-23,29H,11,13,15-18H2,(H,26,30).
What are the key properties of N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide?
N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide has a molecular weight of 499.66 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 45488865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).