(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide

C15H18F2N2O2S — CID 8975280

IUPAC(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(F)cc1F)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C15H18F2N2O2S/c1-9(22-13-7-6-10(16)8-12(13)17)14(20)19-15(21)18-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,18,19,20,21)/t9-/m1/s1
InChIKeyHNWZXTPBMAZXPX-SECBINFHSA-N
MW328.38 g/mol
LogP3.21
Rot. Bonds4

About (2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide

(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide (PubChem CID 8975280) has the molecular formula C15H18F2N2O2S and a molecular weight of 328.38 g/mol. Its IUPAC name is (2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
PubChem CID8975280
Molecular FormulaC15H18F2N2O2S
Molecular Weight328.38 g/mol
Exact Mass328.11
IUPAC Name(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(F)cc1F)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C15H18F2N2O2S/c1-9(22-13-7-6-10(16)8-12(13)17)14(20)19-15(21)18-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,18,19,20,21)/t9-/m1/s1
InChIKeyHNWZXTPBMAZXPX-SECBINFHSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870587
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
CID 79148883
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 8975098
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 8975081
(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736919
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
(2R)-N-(cyclopentylcarbamoyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8948837
(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214646
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
(2S)-N-(cyclopentylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide
CID 8988675
(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide
CID 94157804
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide (CID 8975280) is (2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide is C[C@@H](Sc1ccc(F)cc1F)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is HNWZXTPBMAZXPX-SECBINFHSA-N. The full InChI is InChI=1S/C15H18F2N2O2S/c1-9(22-13-7-6-10(16)8-12(13)17)14(20)19-15(21)18-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,18,19,20,21)/t9-/m1/s1.
What are the key properties of (2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide?
(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 328.38 g/mol, XLogP of 3.21, 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-(2,4-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 8975280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).