N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride

C20H26ClN3O3S — CID 171668777

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-22(15-17-7-3-2-4-8-17)27(25,26)19-11-9-18(10-12-19)21-20(24)16-23-13-5-6-14-23;/h2-4,7-12H,5-6,13-16H2,1H3,(H,21,24);1H
InChIKeyIXXAUVMMJVHCKU-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.96
Rot. Bonds7

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 171668777) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID171668777
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-22(15-17-7-3-2-4-8-17)27(25,26)19-11-9-18(10-12-19)21-20(24)16-23-13-5-6-14-23;/h2-4,7-12H,5-6,13-16H2,1H3,(H,21,24);1H
InChIKeyIXXAUVMMJVHCKU-UHFFFAOYSA-N
XLogP2.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 55409399
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152498
2-[2-[4-[benzyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55410790
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41029644
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26583009
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26899144
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 171668777) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1.Cl.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is IXXAUVMMJVHCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-22(15-17-7-3-2-4-8-17)27(25,26)19-11-9-18(10-12-19)21-20(24)16-23-13-5-6-14-23;/h2-4,7-12H,5-6,13-16H2,1H3,(H,21,24);1H.
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 171668777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).