4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide

C15H15NO2S — CID 3001410

IUPAC4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide
SMILESCOc1ccc(NC(=S)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H15NO2S/c1-17-13-7-3-11(4-8-13)15(19)16-12-5-9-14(18-2)10-6-12/h3-10H,1-2H3,(H,16,19)
InChIKeyRSQQANOVEBEVQT-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.49
Rot. Bonds4

About 4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide

4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide (PubChem CID 3001410) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide
PubChem CID3001410
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide
SMILESCOc1ccc(NC(=S)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H15NO2S/c1-17-13-7-3-11(4-8-13)15(19)16-12-5-9-14(18-2)10-6-12/h3-10H,1-2H3,(H,16,19)
InChIKeyRSQQANOVEBEVQT-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide?
The IUPAC name of 4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide (CID 3001410) is 4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide.
What is the SMILES notation for 4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide?
The canonical SMILES for 4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide is COc1ccc(NC(=S)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide?
The InChIKey is RSQQANOVEBEVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-17-13-7-3-11(4-8-13)15(19)16-12-5-9-14(18-2)10-6-12/h3-10H,1-2H3,(H,16,19).
What are the key properties of 4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide?
4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide has a molecular weight of 273.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxyphenyl)benzenecarbothioamide is sourced from PubChem (CID 3001410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).