(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide

C15H20ClNO2S — CID 95599468

IUPAC(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
SMILESC[C@H](C(=O)NC1CCCC1)[S@@](=O)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClNO2S/c1-11(15(18)17-13-7-3-4-8-13)20(19)10-12-6-2-5-9-14(12)16/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,17,18)/t11-,20+/m1/s1
InChIKeyCHWKAYKSMUQPMH-GIPWTMENSA-N
MW313.85 g/mol
LogP3.04
Rot. Bonds5

About (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide

(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide (PubChem CID 95599468) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
PubChem CID95599468
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Name(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
SMILESC[C@H](C(=O)NC1CCCC1)[S@@](=O)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClNO2S/c1-11(15(18)17-13-7-3-4-8-13)20(19)10-12-6-2-5-9-14(12)16/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,17,18)/t11-,20+/m1/s1
InChIKeyCHWKAYKSMUQPMH-GIPWTMENSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599486
(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599483
(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599447
(2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide
CID 95599592
(2S)-N-benzyl-2-[(R)-(2-chlorophenyl)methylsulfinyl]propanamide
CID 95599465
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexylacetamide
CID 51171753
2-chloro-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 62224606
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 113162520
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide
CID 71878718
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
2-[[2-(2-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
CID 132984685

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
The IUPAC name of (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide (CID 95599468) is (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide.
What is the SMILES notation for (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
The canonical SMILES for (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide is C[C@H](C(=O)NC1CCCC1)[S@@](=O)Cc1ccccc1Cl.
What is the InChIKey of (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
The InChIKey is CHWKAYKSMUQPMH-GIPWTMENSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c1-11(15(18)17-13-7-3-4-8-13)20(19)10-12-6-2-5-9-14(12)16/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,17,18)/t11-,20+/m1/s1.
What are the key properties of (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide has a molecular weight of 313.85 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide is sourced from PubChem (CID 95599468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).