(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide

C14H17FN2O3S — CID 8763649

IUPAC(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESC[C@@H](SC1CCCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17FN2O3S/c1-9(21-11-4-2-3-5-11)14(18)16-10-6-7-12(15)13(8-10)17(19)20/h6-9,11H,2-5H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyPLWXNTAZGIQIFD-SECBINFHSA-N
MW312.37 g/mol
LogP3.74
Rot. Bonds5

About (2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide

(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide (PubChem CID 8763649) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
PubChem CID8763649
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESC[C@@H](SC1CCCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17FN2O3S/c1-9(21-11-4-2-3-5-11)14(18)16-10-6-7-12(15)13(8-10)17(19)20/h6-9,11H,2-5H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyPLWXNTAZGIQIFD-SECBINFHSA-N
XLogP3.74
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
CID 7398220
2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55387447
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)propanamide
CID 9026299
(2R)-2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7950434
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 43026503
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7456444
1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea
CID 107812710
[(1R,2R,3S)-2,3-dimethylcyclohexyl]-[(2S)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl]azanium
CID 11939562
(2S)-N-(4-fluoro-3-nitrophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889386
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963
2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55528968

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide (CID 8763649) is (2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide is C[C@@H](SC1CCCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The InChIKey is PLWXNTAZGIQIFD-SECBINFHSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-9(21-11-4-2-3-5-11)14(18)16-10-6-7-12(15)13(8-10)17(19)20/h6-9,11H,2-5H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide?
(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide has a molecular weight of 312.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide is sourced from PubChem (CID 8763649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).