(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide

C17H25NO3S — CID 95322111

IUPAC(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
SMILESCc1cccc(C2(CNC(=O)[C@@H](C)S(C)(=O)=O)CCCC2)c1
InChIInChI=1S/C17H25NO3S/c1-13-7-6-8-15(11-13)17(9-4-5-10-17)12-18-16(19)14(2)22(3,20)21/h6-8,11,14H,4-5,9-10,12H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyLZMCNCUZANLEJU-CQSZACIVSA-N
MW323.46 g/mol
LogP2.36
Rot. Bonds5

About (2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide

(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide (PubChem CID 95322111) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
PubChem CID95322111
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
SMILESCc1cccc(C2(CNC(=O)[C@@H](C)S(C)(=O)=O)CCCC2)c1
InChIInChI=1S/C17H25NO3S/c1-13-7-6-8-15(11-13)17(9-4-5-10-17)12-18-16(19)14(2)22(3,20)21/h6-8,11,14H,4-5,9-10,12H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyLZMCNCUZANLEJU-CQSZACIVSA-N
XLogP2.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
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CID 4119952
3-[(4-methylbenzyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 4119951
3-[(4-methylbenzyl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide
CID 5068932
N-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)acetamide
CID 16799580
N-(3-Methylbutyl)-3-[(4-methylphenyl)methanesulfonyl]propanamide
CID 4134924
3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide
CID 3659359
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
CID 4142944
N-(1-Benzyl-3-methanesulfonyl-allyl)-acetamide
CID 44268396
1-ethylsulfonyl-N-(2-phenylbutyl)piperidine-4-carboxamide
CID 45837035
N-cyclopentyl-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide
CID 45891808
N-[cyclopentyl-(4-fluorophenyl)methyl]-2-ethylsulfonylacetamide
CID 51092257

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide (CID 95322111) is (2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide is Cc1cccc(C2(CNC(=O)[C@@H](C)S(C)(=O)=O)CCCC2)c1.
What is the InChIKey of (2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide?
The InChIKey is LZMCNCUZANLEJU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-13-7-6-8-15(11-13)17(9-4-5-10-17)12-18-16(19)14(2)22(3,20)21/h6-8,11,14H,4-5,9-10,12H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide?
(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide has a molecular weight of 323.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 95322111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).