2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide

C17H18N2OS — CID 961010

IUPAC2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2ccccc2C)c(C)c1
InChIInChI=1S/C17H18N2OS/c1-11-8-9-14(13(3)10-11)16(20)19-17(21)18-15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H2,18,19,20,21)
InChIKeyOSVBVZJUVSKYKI-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.74
Rot. Bonds2

About 2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide

2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide (PubChem CID 961010) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide
PubChem CID961010
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2ccccc2C)c(C)c1
InChIInChI=1S/C17H18N2OS/c1-11-8-9-14(13(3)10-11)16(20)19-17(21)18-15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H2,18,19,20,21)
InChIKeyOSVBVZJUVSKYKI-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.74
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

1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea
CID 8616409
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
CID 885104
2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide
CID 961000
N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 1395879
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 3528413
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
3-methyl-4-[(2-methylbenzoyl)carbamothioylamino]benzoic acid
CID 28686854
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 961018
N-[(4-bromo-2-iodophenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 4063907
N-(anilinocarbamothioyl)-2,4-dimethylbenzamide
CID 961028
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2,4-dimethylbenzamide
CID 1287902
N-[(2-methylphenyl)carbamothioyl]acetamide
CID 2791906

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide (CID 961010) is 2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide is Cc1ccc(C(=O)NC(=S)Nc2ccccc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide?
The InChIKey is OSVBVZJUVSKYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-8-9-14(13(3)10-11)16(20)19-17(21)18-15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H2,18,19,20,21).
What are the key properties of 2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide?
2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide has a molecular weight of 298.41 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 961010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).