N-[(3-methoxyphenyl)carbamothioyl]benzamide

C15H14N2O2S — CID 696323

IUPACN-[(3-methoxyphenyl)carbamothioyl]benzamide
SMILESCOc1cccc(NC(=S)NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O2S/c1-19-13-9-5-8-12(10-13)16-15(20)17-14(18)11-6-3-2-4-7-11/h2-10H,1H3,(H2,16,17,18,20)
InChIKeyIGLCIYHMAOZULA-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.82
Rot. Bonds3

About N-[(3-methoxyphenyl)carbamothioyl]benzamide

N-[(3-methoxyphenyl)carbamothioyl]benzamide (PubChem CID 696323) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)carbamothioyl]benzamide
PubChem CID696323
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(3-methoxyphenyl)carbamothioyl]benzamide
SMILESCOc1cccc(NC(=S)NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O2S/c1-19-13-9-5-8-12(10-13)16-15(20)17-14(18)11-6-3-2-4-7-11/h2-10H,1H3,(H2,16,17,18,20)
InChIKeyIGLCIYHMAOZULA-UHFFFAOYSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, N-(3-methoxyphenyl)-2-(trifluoromethyl)-
CID 846634
2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 2306768
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
N,N'-Bis(3-methoxyphenyl)terephthalamide
CID 248372
N-(3-methoxyphenyl)-2-phenylacetamide
CID 795356
P-Tolu-M-anisidide
CID 3977580
1-Benzyl-3-(3-methoxyphenyl)thiourea
CID 698354
N-(3-Methoxyphenyl)benzoic acid amide
CID 139369
N-(3-methoxyphenyl)-2-phenylbenzamide
CID 976228
4-methoxy-N-phenylbenzamide
CID 346037
1-N,3-N-bis(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 138884
4-methoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 1968441

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(3-methoxyphenyl)carbamothioyl]benzamide (CID 696323) is N-[(3-methoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)carbamothioyl]benzamide is COc1cccc(NC(=S)NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The InChIKey is IGLCIYHMAOZULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-19-13-9-5-8-12(10-13)16-15(20)17-14(18)11-6-3-2-4-7-11/h2-10H,1H3,(H2,16,17,18,20).
What are the key properties of N-[(3-methoxyphenyl)carbamothioyl]benzamide?
N-[(3-methoxyphenyl)carbamothioyl]benzamide has a molecular weight of 286.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 696323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).