N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide

C17H24ClNO3S — CID 110611742

IUPACN-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCC(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C17H24ClNO3S/c1-23(21,22)11-10-17(20)19-12-16(13-4-2-3-5-13)14-6-8-15(18)9-7-14/h6-9,13,16H,2-5,10-12H2,1H3,(H,19,20)
InChIKeyJGFUJTYEXVNUDR-UHFFFAOYSA-N
MW357.90 g/mol
LogP3.16
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide

N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide (PubChem CID 110611742) has the molecular formula C17H24ClNO3S and a molecular weight of 357.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide
PubChem CID110611742
Molecular FormulaC17H24ClNO3S
Molecular Weight357.90 g/mol
Exact Mass357.12
IUPAC NameN-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCC(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C17H24ClNO3S/c1-23(21,22)11-10-17(20)19-12-16(13-4-2-3-5-13)14-6-8-15(18)9-7-14/h6-9,13,16H,2-5,10-12H2,1H3,(H,19,20)
InChIKeyJGFUJTYEXVNUDR-UHFFFAOYSA-N
XLogP3.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.90
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide
CID 110357237
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
CID 110666300
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
3-(4-chlorophenyl)-4-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215551
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322
3-cyclohexyl-3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110354814
1-chloro-4-(1,2-dicyclohexylethyl)benzene
CID 57050049
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
tert-butyl 4-[1-(4-chlorophenyl)-2-(trifluoromethylsulfonylamino)ethyl]piperidine-1-carboxylate
CID 71219472
3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide
CID 5058061

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide (CID 110611742) is N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NCC(c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide?
The InChIKey is JGFUJTYEXVNUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3S/c1-23(21,22)11-10-17(20)19-12-16(13-4-2-3-5-13)14-6-8-15(18)9-7-14/h6-9,13,16H,2-5,10-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide?
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide has a molecular weight of 357.90 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 110611742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).