2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide

C16H15N3O4S — CID 2947308

IUPAC2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4S/c1-23-14-8-2-11(3-9-14)10-15(20)18-16(24)17-12-4-6-13(7-5-12)19(21)22/h2-9H,10H2,1H3,(H2,17,18,20,24)
InChIKeyUMNJAOAQKCBZDM-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.66
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide

2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide (PubChem CID 2947308) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide
PubChem CID2947308
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4S/c1-23-14-8-2-11(3-9-14)10-15(20)18-16(24)17-12-4-6-13(7-5-12)19(21)22/h2-9H,10H2,1H3,(H2,17,18,20,24)
InChIKeyUMNJAOAQKCBZDM-UHFFFAOYSA-N
XLogP2.66
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]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

1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599
N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4925407
2-(4-ethylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5241566
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-nitrophenyl)thiourea
CID 8617564
N-[4-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]phenyl]-3-methylbutanamide
CID 17194244
N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 3317798
N-[(4-nitrophenyl)carbamothioyl]butanamide
CID 3383116
N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
CID 2958215
1-(3,5-dimethoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 2955660
N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide
CID 2889588
N-[(4-iodophenyl)carbamothioyl]-2-(4-nitrophenoxy)acetamide
CID 3351403
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide (CID 2947308) is 2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide is COc1ccc(CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide?
The InChIKey is UMNJAOAQKCBZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-23-14-8-2-11(3-9-14)10-15(20)18-16(24)17-12-4-6-13(7-5-12)19(21)22/h2-9H,10H2,1H3,(H2,17,18,20,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide?
2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide is sourced from PubChem (CID 2947308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).