N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide

C16H22ClNO3S — CID 56827234

IUPACN-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C16H22ClNO3S/c1-22(20,21)11-10-15(19)18-16(12-4-2-3-5-12)13-6-8-14(17)9-7-13/h6-9,12,16H,2-5,10-11H2,1H3,(H,18,19)
InChIKeyZLJLFVVVYYUYMK-UHFFFAOYSA-N
MW343.88 g/mol
LogP3.12
Rot. Bonds6

About N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide

N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide (PubChem CID 56827234) has the molecular formula C16H22ClNO3S and a molecular weight of 343.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
PubChem CID56827234
Molecular FormulaC16H22ClNO3S
Molecular Weight343.88 g/mol
Exact Mass343.10
IUPAC NameN-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C16H22ClNO3S/c1-22(20,21)11-10-15(19)18-16(12-4-2-3-5-12)13-6-8-14(17)9-7-13/h6-9,12,16H,2-5,10-11H2,1H3,(H,18,19)
InChIKeyZLJLFVVVYYUYMK-UHFFFAOYSA-N
XLogP3.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide
CID 110611742
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide
CID 39594752
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide
CID 97053702
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
CID 120500453
N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95288063

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide (CID 56827234) is N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NC(c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide?
The InChIKey is ZLJLFVVVYYUYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3S/c1-22(20,21)11-10-15(19)18-16(12-4-2-3-5-12)13-6-8-14(17)9-7-13/h6-9,12,16H,2-5,10-11H2,1H3,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide?
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide has a molecular weight of 343.88 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 56827234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).