N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide

C21H26N2O5S — CID 1294119

IUPACN-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCC3)cc2)cc1OC
InChIInChI=1S/C21H26N2O5S/c1-23(29(25,26)18-12-13-19(27-2)20(14-18)28-3)17-10-8-15(9-11-17)21(24)22-16-6-4-5-7-16/h8-14,16H,4-7H2,1-3H3,(H,22,24)
InChIKeyNRRQGQHXDMHBQK-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.20
Rot. Bonds7

About N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide

N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 1294119) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID1294119
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCC3)cc2)cc1OC
InChIInChI=1S/C21H26N2O5S/c1-23(29(25,26)18-12-13-19(27-2)20(14-18)28-3)17-10-8-15(9-11-17)21(24)22-16-6-4-5-7-16/h8-14,16H,4-7H2,1-3H3,(H,22,24)
InChIKeyNRRQGQHXDMHBQK-UHFFFAOYSA-N
XLogP3.20
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]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-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 53279937
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1022029
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2979059
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
N-(5-chloro-2-methylphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227239
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
N-cyclooctyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 17490358
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide
CID 126388487
N-[4-(2-adamantyl)phenyl]-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412365

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide (CID 1294119) is N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCC3)cc2)cc1OC.
What is the InChIKey of N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is NRRQGQHXDMHBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-23(29(25,26)18-12-13-19(27-2)20(14-18)28-3)17-10-8-15(9-11-17)21(24)22-16-6-4-5-7-16/h8-14,16H,4-7H2,1-3H3,(H,22,24).
What are the key properties of N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide?
N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 418.52 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 1294119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).