N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C21H27N3O3S — CID 56509866

IUPACN-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)CCN3CCCC3)c2)c1
InChIInChI=1S/C21H27N3O3S/c1-17-7-5-9-19(15-17)22-28(26,27)20-10-6-8-18(16-20)21(25)23(2)13-14-24-11-3-4-12-24/h5-10,15-16,22H,3-4,11-14H2,1-2H3
InChIKeyGPRSVYRMZDBLOC-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.96
Rot. Bonds7

About N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 56509866) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID56509866
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)CCN3CCCC3)c2)c1
InChIInChI=1S/C21H27N3O3S/c1-17-7-5-9-19(15-17)22-28(26,27)20-10-6-8-18(16-20)21(25)23(2)13-14-24-11-3-4-12-24/h5-10,15-16,22H,3-4,11-14H2,1-2H3
InChIKeyGPRSVYRMZDBLOC-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 ≤ 500401.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 9227005
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510388
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
CID 9204806
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
4-[(2,3-dimethylphenyl)sulfamoyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510258
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314
N-(3-methylphenyl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 34743760

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 56509866) is N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)CCN3CCCC3)c2)c1.
What is the InChIKey of N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is GPRSVYRMZDBLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-17-7-5-9-19(15-17)22-28(26,27)20-10-6-8-18(16-20)21(25)23(2)13-14-24-11-3-4-12-24/h5-10,15-16,22H,3-4,11-14H2,1-2H3.
What are the key properties of N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 401.53 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-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 56509866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).