N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide

C16H16N2O4S — CID 2975810

IUPACN-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4S/c1-22-12-7-8-14(15(11-12)18(20)21)17-16(19)9-10-23-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyLIYZFDUQRFGEPD-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.72
Rot. Bonds7

About N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide

N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide (PubChem CID 2975810) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
PubChem CID2975810
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4S/c1-22-12-7-8-14(15(11-12)18(20)21)17-16(19)9-10-23-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyLIYZFDUQRFGEPD-UHFFFAOYSA-N
XLogP3.72
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(2-methoxy-4-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975221
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583260
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
N-(4-methoxy-2-nitrophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 2837465
N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 18586327
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 115569447
methyl 3-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785649
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide (CID 2975810) is N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide is COc1ccc(NC(=O)CCSc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide?
The InChIKey is LIYZFDUQRFGEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-22-12-7-8-14(15(11-12)18(20)21)17-16(19)9-10-23-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,19).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide?
N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide has a molecular weight of 332.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 2975810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).