N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide

C15H21NO2S — CID 54994461

IUPACN-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(CCO)C2CCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-19-14-8-6-12(7-9-14)15(18)16(10-11-17)13-4-2-3-5-13/h6-9,13,17H,2-5,10-11H2,1H3
InChIKeyPIHHYMWXWWJLDF-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.79
Rot. Bonds5

About N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide

N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide (PubChem CID 54994461) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide
PubChem CID54994461
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(CCO)C2CCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-19-14-8-6-12(7-9-14)15(18)16(10-11-17)13-4-2-3-5-13/h6-9,13,17H,2-5,10-11H2,1H3
InChIKeyPIHHYMWXWWJLDF-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
CID 102851284
2-[cyclopropyl-(4-methylsulfanylbenzoyl)amino]acetic acid
CID 54946184
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea
CID 110904170
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 102684653
N-cyclopentyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994210
4-bromo-N-cyclohexyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 103956472
N-cyclohexyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 62174091
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide (CID 54994461) is N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N(CCO)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide?
The InChIKey is PIHHYMWXWWJLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-19-14-8-6-12(7-9-14)15(18)16(10-11-17)13-4-2-3-5-13/h6-9,13,17H,2-5,10-11H2,1H3.
What are the key properties of N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide?
N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide has a molecular weight of 279.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 54994461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).