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

C21H26N2O3S — CID 108736298

IUPACN-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-5-4-6-18(15-16)21(24)22-14-13-17-9-11-20(12-10-17)27(25,26)23-19-7-2-3-8-19/h4-6,9-12,15,19,23H,2-3,7-8,13-14H2,1H3,(H,22,24)
InChIKeyDQHYXGKJSORSCF-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.19
Rot. Bonds7

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

N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide (PubChem CID 108736298) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
PubChem CID108736298
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-5-4-6-18(15-16)21(24)22-14-13-17-9-11-20(12-10-17)27(25,26)23-19-7-2-3-8-19/h4-6,9-12,15,19,23H,2-3,7-8,13-14H2,1H3,(H,22,24)
InChIKeyDQHYXGKJSORSCF-UHFFFAOYSA-N
XLogP3.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide
CID 3438717
N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
CID 17191539
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 110790612
N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide
CID 110345713
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 108736292
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 108736405
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
(E)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
CID 108736377
3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 108759314
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide (CID 108736298) is N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC3CCCC3)cc2)c1.
What is the InChIKey of N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide?
The InChIKey is DQHYXGKJSORSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-5-4-6-18(15-16)21(24)22-14-13-17-9-11-20(12-10-17)27(25,26)23-19-7-2-3-8-19/h4-6,9-12,15,19,23H,2-3,7-8,13-14H2,1H3,(H,22,24).
What are the key properties of N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide?
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 108736298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).