N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide

C15H22N2O3S — CID 122191046

IUPACN-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C15H22N2O3S/c1-11-7-8-13(10-16-12(2)18)9-15(11)21(19,20)17-14-5-3-4-6-14/h7-9,14,17H,3-6,10H2,1-2H3,(H,16,18)
InChIKeyNGPFSGNWYZNOQT-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.85
Rot. Bonds5

About N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide

N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide (PubChem CID 122191046) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide
PubChem CID122191046
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C15H22N2O3S/c1-11-7-8-13(10-16-12(2)18)9-15(11)21(19,20)17-14-5-3-4-6-14/h7-9,14,17H,3-6,10H2,1-2H3,(H,16,18)
InChIKeyNGPFSGNWYZNOQT-UHFFFAOYSA-N
XLogP1.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
CID 119350138
5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084377
5-[[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 98226805
N-cycloheptyl-5-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 46296241
5-[[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-cyclohexyl-2-methylbenzenesulfonamide
CID 98296100
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
CID 119507022
N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide
CID 119583234
3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride
CID 120651468
N-cyclopentyl-5-(4-hydroxybut-1-ynyl)-2-methylbenzenesulfonamide
CID 60824735
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 119570340

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide?
The IUPAC name of N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide (CID 122191046) is N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide?
The canonical SMILES for N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide is CC(=O)NCc1ccc(C)c(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide?
The InChIKey is NGPFSGNWYZNOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-7-8-13(10-16-12(2)18)9-15(11)21(19,20)17-14-5-3-4-6-14/h7-9,14,17H,3-6,10H2,1-2H3,(H,16,18).
What are the key properties of N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide?
N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide is sourced from PubChem (CID 122191046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).