4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

C25H27N3O4S — CID 55985873

IUPAC4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3N3CCCC3)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-32-22-12-10-21(11-13-22)27-33(30,31)23-14-8-19(9-15-23)25(29)26-18-20-6-2-3-7-24(20)28-16-4-5-17-28/h2-3,6-15,27H,4-5,16-18H2,1H3,(H,26,29)
InChIKeyPFCMNFLNAYSCNG-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.03
Rot. Bonds8

About 4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 55985873) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID55985873
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3N3CCCC3)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-32-22-12-10-21(11-13-22)27-33(30,31)23-14-8-19(9-15-23)25(29)26-18-20-6-2-3-7-24(20)28-16-4-5-17-28/h2-3,6-15,27H,4-5,16-18H2,1H3,(H,26,29)
InChIKeyPFCMNFLNAYSCNG-UHFFFAOYSA-N
XLogP4.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)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

N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24504740
4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24560631
N-[2-(azepan-1-yl)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 37297933
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55692728
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24683129
4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 24551665
4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55983758
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 40973564
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 55985873) is 4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3N3CCCC3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is PFCMNFLNAYSCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-32-22-12-10-21(11-13-22)27-33(30,31)23-14-8-19(9-15-23)25(29)26-18-20-6-2-3-7-24(20)28-16-4-5-17-28/h2-3,6-15,27H,4-5,16-18H2,1H3,(H,26,29).
What are the key properties of 4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55985873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).