2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide

C15H21ClN2O3S — CID 974018

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-22(20,21)18(10-12-6-8-13(16)9-7-12)11-15(19)17-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)
InChIKeyJOBQZCGKIVQFQZ-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.16
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide (PubChem CID 974018) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide
PubChem CID974018
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-22(20,21)18(10-12-6-8-13(16)9-7-12)11-15(19)17-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)
InChIKeyJOBQZCGKIVQFQZ-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 2231446
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
(2S)-N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864950
hydroxamate deriv. B1
CID 23645788
N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 963779
N~2~-(4-chlorobenzyl)-N~2~-(methylsulfonyl)-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 2967191
2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylsulfanylbutanamide
CID 3916833
N-(3-aminopropyl)-2-[benzyl(methylsulfonyl)amino]propanamide
CID 45488700
2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883437
2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide
CID 5228616

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide (CID 974018) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide is CS(=O)(=O)N(CC(=O)NC1CCCC1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide?
The InChIKey is JOBQZCGKIVQFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-22(20,21)18(10-12-6-8-13(16)9-7-12)11-15(19)17-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,19).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide has a molecular weight of 344.86 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentylacetamide is sourced from PubChem (CID 974018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).