(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide

C17H24N2O2S — CID 8736919

IUPAC(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)NC(=O)NC2CCCC2)cc1C
InChIInChI=1S/C17H24N2O2S/c1-11-8-9-15(10-12(11)2)22-13(3)16(20)19-17(21)18-14-6-4-5-7-14/h8-10,13-14H,4-7H2,1-3H3,(H2,18,19,20,21)/t13-/m1/s1
InChIKeyGIIAEJNENUFSJM-CYBMUJFWSA-N
MW320.46 g/mol
LogP3.55
Rot. Bonds4

About (2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide

(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 8736919) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
PubChem CID8736919
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)NC(=O)NC2CCCC2)cc1C
InChIInChI=1S/C17H24N2O2S/c1-11-8-9-15(10-12(11)2)22-13(3)16(20)19-17(21)18-14-6-4-5-7-14/h8-10,13-14H,4-7H2,1-3H3,(H2,18,19,20,21)/t13-/m1/s1
InChIKeyGIIAEJNENUFSJM-CYBMUJFWSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide
CID 8988675
(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214646
(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975280
N-(cyclopropylcarbamoyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46674836
(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870587
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79141100
(2R)-N-(cyclopentylcarbamoyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889695
(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide
CID 94157804
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
N-(cyclopropylcarbamoyl)-2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46658577

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide (CID 8736919) is (2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(S[C@H](C)C(=O)NC(=O)NC2CCCC2)cc1C.
What is the InChIKey of (2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is GIIAEJNENUFSJM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-11-8-9-15(10-12(11)2)22-13(3)16(20)19-17(21)18-14-6-4-5-7-14/h8-10,13-14H,4-7H2,1-3H3,(H2,18,19,20,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide?
(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 320.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 8736919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).