4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

C27H31N3O4S — CID 40973564

IUPAC4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESC[C@@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2)cc1
InChIInChI=1S/C27H31N3O4S/c1-20(31)21-10-14-26(15-11-21)35(33,34)29-25-12-8-22(9-13-25)27(32)28-18-23-6-2-3-7-24(23)19-30-16-4-5-17-30/h2-3,6-15,20,29,31H,4-5,16-19H2,1H3,(H,28,32)/t20-/m1/s1
InChIKeyGHOJQOHTNAFVOD-HXUWFJFHSA-N
MW493.63 g/mol
LogP4.07
Rot. Bonds9

About 4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 40973564) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID40973564
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESC[C@@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2)cc1
InChIInChI=1S/C27H31N3O4S/c1-20(31)21-10-14-26(15-11-21)35(33,34)29-25-12-8-22(9-13-25)27(32)28-18-23-6-2-3-7-24(23)19-30-16-4-5-17-30/h2-3,6-15,20,29,31H,4-5,16-19H2,1H3,(H,28,32)/t20-/m1/s1
InChIKeyGHOJQOHTNAFVOD-HXUWFJFHSA-N
XLogP4.07
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]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

4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 42121264
4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142470
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
CID 60517834
4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8969533
4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985873
4-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142408
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
N-cyclopentyl-4-[[4-[(1S)-1-hydroxyethyl]phenyl]sulfonylamino]benzamide
CID 41105553
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55713803
4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-[2-hydroxy-1-(4-phenylphenyl)ethyl]benzamide
CID 167853547
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (CID 40973564) is 4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is C[C@@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2)cc1.
What is the InChIKey of 4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is GHOJQOHTNAFVOD-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-20(31)21-10-14-26(15-11-21)35(33,34)29-25-12-8-22(9-13-25)27(32)28-18-23-6-2-3-7-24(23)19-30-16-4-5-17-30/h2-3,6-15,20,29,31H,4-5,16-19H2,1H3,(H,28,32)/t20-/m1/s1.
What are the key properties of 4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 493.63 g/mol, XLogP of 4.07, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 40973564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).