N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide

C15H22N2O3S — CID 78914140

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2(C)CCCC2)c1C
InChIInChI=1S/C15H22N2O3S/c1-10-8-12(21(16,19)20)9-13(11(10)2)17-14(18)15(3)6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyCAVKERYQHGLHPJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.47
Rot. Bonds3

About N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 78914140) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID78914140
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2(C)CCCC2)c1C
InChIInChI=1S/C15H22N2O3S/c1-10-8-12(21(16,19)20)9-13(11(10)2)17-14(18)15(3)6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyCAVKERYQHGLHPJ-UHFFFAOYSA-N
XLogP2.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63139281
N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106828727
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
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1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
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CID 60671270
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
3-[(3,3-dimethylcyclopentyl)amino]-4,5-dimethylbenzenesulfonamide
CID 80705810
3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
CID 43684686
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
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4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide (CID 78914140) is N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)C2(C)CCCC2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is CAVKERYQHGLHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-8-12(21(16,19)20)9-13(11(10)2)17-14(18)15(3)6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 78914140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).