4-carbamothioyl-N-(2-ethylphenyl)benzamide

C16H16N2OS — CID 24701892

IUPAC4-carbamothioyl-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H16N2OS/c1-2-11-5-3-4-6-14(11)18-16(19)13-9-7-12(8-10-13)15(17)20/h3-10H,2H2,1H3,(H2,17,20)(H,18,19)
InChIKeyPMYDGTIGGBERNK-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.14
Rot. Bonds4

About 4-carbamothioyl-N-(2-ethylphenyl)benzamide

4-carbamothioyl-N-(2-ethylphenyl)benzamide (PubChem CID 24701892) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-carbamothioyl-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(2-ethylphenyl)benzamide
PubChem CID24701892
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-carbamothioyl-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H16N2OS/c1-2-11-5-3-4-6-14(11)18-16(19)13-9-7-12(8-10-13)15(17)20/h3-10H,2H2,1H3,(H2,17,20)(H,18,19)
InChIKeyPMYDGTIGGBERNK-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046713
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide
CID 43697115
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
CID 112705717

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(2-ethylphenyl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(2-ethylphenyl)benzamide (CID 24701892) is 4-carbamothioyl-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-(2-ethylphenyl)benzamide?
The InChIKey is PMYDGTIGGBERNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-11-5-3-4-6-14(11)18-16(19)13-9-7-12(8-10-13)15(17)20/h3-10H,2H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 4-carbamothioyl-N-(2-ethylphenyl)benzamide?
4-carbamothioyl-N-(2-ethylphenyl)benzamide has a molecular weight of 284.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 24701892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).