3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide

C17H18N2OS — CID 24697035

IUPAC3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C17H18N2OS/c1-3-12-7-4-6-11(2)15(12)19-17(20)14-9-5-8-13(10-14)16(18)21/h4-10H,3H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyCAQLUHZXPPSPCI-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.44
Rot. Bonds4

About 3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide

3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide (PubChem CID 24697035) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide
PubChem CID24697035
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C17H18N2OS/c1-3-12-7-4-6-11(2)15(12)19-17(20)14-9-5-8-13(10-14)16(18)21/h4-10H,3H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyCAQLUHZXPPSPCI-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.44
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

N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide
CID 109051527
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
3-amino-4-bromo-N-(2-ethyl-6-methylphenyl)benzamide
CID 61090453
2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451251
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
3-carbamothioyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79754667
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
N-(2-ethyl-6-methylphenyl)-1H-indole-6-carboxamide
CID 60773719

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide?
The IUPAC name of 3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide (CID 24697035) is 3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide.
What is the SMILES notation for 3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide?
The canonical SMILES for 3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide is CCc1cccc(C)c1NC(=O)c1cccc(C(N)=S)c1.
What is the InChIKey of 3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide?
The InChIKey is CAQLUHZXPPSPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-3-12-7-4-6-11(2)15(12)19-17(20)14-9-5-8-13(10-14)16(18)21/h4-10H,3H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide?
3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide has a molecular weight of 298.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide is sourced from PubChem (CID 24697035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).