N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide

C17H26N2O4S — CID 52793193

IUPACN-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2CCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H26N2O4S/c1-18(2)24(21,22)16-11-14(9-10-15(16)23-4)17(20)19(3)12-13-7-5-6-8-13/h9-11,13H,5-8,12H2,1-4H3
InChIKeyARPJGZLJZNIUJG-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.21
Rot. Bonds6

About N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide

N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide (PubChem CID 52793193) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide
PubChem CID52793193
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2CCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H26N2O4S/c1-18(2)24(21,22)16-11-14(9-10-15(16)23-4)17(20)19(3)12-13-7-5-6-8-13/h9-11,13H,5-8,12H2,1-4H3
InChIKeyARPJGZLJZNIUJG-UHFFFAOYSA-N
XLogP2.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119610980
3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512431
N-(cyclobutylmethyl)-N,4-dimethyl-3-sulfamoylbenzamide
CID 65387895
3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 46585419
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
CID 51161109
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 51547725
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 60596778
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534166
N-(cyclohexylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 43057461

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide (CID 52793193) is N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC2CCCC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide?
The InChIKey is ARPJGZLJZNIUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-18(2)24(21,22)16-11-14(9-10-15(16)23-4)17(20)19(3)12-13-7-5-6-8-13/h9-11,13H,5-8,12H2,1-4H3.
What are the key properties of N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide?
N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 52793193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).