1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide

C18H26ClNO2S — CID 95984396

IUPAC1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide
SMILESCSCC[C@@](C)(O)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H26ClNO2S/c1-17(22,11-12-23-2)13-20-16(21)18(9-3-4-10-18)14-5-7-15(19)8-6-14/h5-8,22H,3-4,9-13H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyNWPFAAXFOURXNR-QGZVFWFLSA-N
MW355.93 g/mol
LogP3.77
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide (PubChem CID 95984396) has the molecular formula C18H26ClNO2S and a molecular weight of 355.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide
PubChem CID95984396
Molecular FormulaC18H26ClNO2S
Molecular Weight355.93 g/mol
Exact Mass355.14
IUPAC Name1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide
SMILESCSCC[C@@](C)(O)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H26ClNO2S/c1-17(22,11-12-23-2)13-20-16(21)18(9-3-4-10-18)14-5-7-15(19)8-6-14/h5-8,22H,3-4,9-13H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyNWPFAAXFOURXNR-QGZVFWFLSA-N
XLogP3.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.93
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
1-(4-chlorophenyl)-N-(2-ethyl-2-hydroxybutyl)cyclopropane-1-carboxamide
CID 65112164
1-(4-chlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclopropane-1-carboxamide
CID 56827735
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787306
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 168737013
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
N-but-3-ynyl-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 90537906
2-chloro-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984298
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362498

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide (CID 95984396) is 1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide is CSCC[C@@](C)(O)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide?
The InChIKey is NWPFAAXFOURXNR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26ClNO2S/c1-17(22,11-12-23-2)13-20-16(21)18(9-3-4-10-18)14-5-7-15(19)8-6-14/h5-8,22H,3-4,9-13H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide has a molecular weight of 355.93 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 95984396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).