2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide

C16H15ClN2O3S — CID 2957470

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-10-3-6-13(19(21)22)9-15(10)18-16(20)11(2)23-14-7-4-12(17)5-8-14/h3-9,11H,1-2H3,(H,18,20)
InChIKeyLSGXAHLGDQVFNC-UHFFFAOYSA-N
MW350.83 g/mol
LogP4.68
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 2957470) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID2957470
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-10-3-6-13(19(21)22)9-15(10)18-16(20)11(2)23-14-7-4-12(17)5-8-14/h3-9,11H,1-2H3,(H,18,20)
InChIKeyLSGXAHLGDQVFNC-UHFFFAOYSA-N
XLogP4.68
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 54.68
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

(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7816512
N-[4-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 19630854
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 93486233
(E)-4-[4-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786080
N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 134008118
N-[(Z)-1-(4-chlorophenyl)-3-[4-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 21384385
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 55363375
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 8571036
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)propanamide
CID 126413908
N-[(Z)-1-(2-chlorophenyl)-3-[4-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 21383965
2-(4-chlorophenyl)sulfanyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 16815374

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide (CID 2957470) is 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is LSGXAHLGDQVFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-10-3-6-13(19(21)22)9-15(10)18-16(20)11(2)23-14-7-4-12(17)5-8-14/h3-9,11H,1-2H3,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide has a molecular weight of 350.83 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 2957470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).