3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

C27H37N3O4S — CID 46475905

IUPAC3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(CN3CCCCC3C)cc2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C27H37N3O4S/c1-20-7-5-6-16-30(20)19-22-12-10-21(11-13-22)18-28-27(31)23-14-15-25(34-2)26(17-23)35(32,33)29-24-8-3-4-9-24/h10-15,17,20,24,29H,3-9,16,18-19H2,1-2H3,(H,28,31)
InChIKeyMJWCGTANRVFREN-UHFFFAOYSA-N
MW499.68 g/mol
LogP4.22
Rot. Bonds9

About 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 46475905) has the molecular formula C27H37N3O4S and a molecular weight of 499.68 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID46475905
Molecular FormulaC27H37N3O4S
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(CN3CCCCC3C)cc2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C27H37N3O4S/c1-20-7-5-6-16-30(20)19-22-12-10-21(11-13-22)18-28-27(31)23-14-15-25(34-2)26(17-23)35(32,33)29-24-8-3-4-9-24/h10-15,17,20,24,29H,3-9,16,18-19H2,1-2H3,(H,28,31)
InChIKeyMJWCGTANRVFREN-UHFFFAOYSA-N
XLogP4.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]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

3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 46424901
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548348
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 46475812
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 56551947
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17492372
N-[(3-chlorophenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55345724

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 46475905) is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(CN3CCCCC3C)cc2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is MJWCGTANRVFREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4S/c1-20-7-5-6-16-30(20)19-22-12-10-21(11-13-22)18-28-27(31)23-14-15-25(34-2)26(17-23)35(32,33)29-24-8-3-4-9-24/h10-15,17,20,24,29H,3-9,16,18-19H2,1-2H3,(H,28,31).
What are the key properties of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 499.68 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 46475905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).