3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide

C17H27N3O3S — CID 119507022

IUPAC3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
SMILESCCNCCNC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C17H27N3O3S/c1-3-18-10-11-19-17(21)14-9-8-13(2)16(12-14)24(22,23)20-15-6-4-5-7-15/h8-9,12,15,18,20H,3-7,10-11H2,1-2H3,(H,19,21)
InChIKeyRFRKYJNZEJLKEK-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.56
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide

3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide (PubChem CID 119507022) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
PubChem CID119507022
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
SMILESCCNCCNC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C17H27N3O3S/c1-3-18-10-11-19-17(21)14-9-8-13(2)16(12-14)24(22,23)20-15-6-4-5-7-15/h8-9,12,15,18,20H,3-7,10-11H2,1-2H3,(H,19,21)
InChIKeyRFRKYJNZEJLKEK-UHFFFAOYSA-N
XLogP1.56
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
CID 119350138
3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride
CID 120651468
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 119570340
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 154840886
N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide
CID 119583234
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide;hydrochloride
CID 119610853
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119506523
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
CID 146093151
3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574596

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide (CID 119507022) is 3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide is CCNCCNC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide?
The InChIKey is RFRKYJNZEJLKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-3-18-10-11-19-17(21)14-9-8-13(2)16(12-14)24(22,23)20-15-6-4-5-7-15/h8-9,12,15,18,20H,3-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide?
3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide has a molecular weight of 353.49 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 119507022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).