N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide

C21H19N3O4S — CID 24583260

IUPACN-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2Sc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H19N3O4S/c1-28-15-11-12-17(19(13-15)24(26)27)23-21(25)14-22-18-9-5-6-10-20(18)29-16-7-3-2-4-8-16/h2-13,22H,14H2,1H3,(H,23,25)
InChIKeyXPYFCUVLHCRFQX-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.81
Rot. Bonds8

About N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide

N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide (PubChem CID 24583260) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide
PubChem CID24583260
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2Sc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H19N3O4S/c1-28-15-11-12-17(19(13-15)24(26)27)23-21(25)14-22-18-9-5-6-10-20(18)29-16-7-3-2-4-8-16/h2-13,22H,14H2,1H3,(H,23,25)
InChIKeyXPYFCUVLHCRFQX-UHFFFAOYSA-N
XLogP4.81
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856
N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975810
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4806528
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 42068751
2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 115569447
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
N-(4-methoxy-2-nitrophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 2837465

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide (CID 24583260) is N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide is COc1ccc(NC(=O)CNc2ccccc2Sc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide?
The InChIKey is XPYFCUVLHCRFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-28-15-11-12-17(19(13-15)24(26)27)23-21(25)14-22-18-9-5-6-10-20(18)29-16-7-3-2-4-8-16/h2-13,22H,14H2,1H3,(H,23,25).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide has a molecular weight of 409.47 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide is sourced from PubChem (CID 24583260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).