2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide

C20H18N2OS — CID 961000

IUPAC2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C20H18N2OS/c1-13-7-10-18(14(2)11-13)19(23)22-20(24)21-17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,1-2H3,(H2,21,22,23,24)
InChIKeyLVGHNOLMAIRTBN-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.58
Rot. Bonds2

About 2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide

2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide (PubChem CID 961000) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide
PubChem CID961000
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C20H18N2OS/c1-13-7-10-18(14(2)11-13)19(23)22-20(24)21-17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,1-2H3,(H2,21,22,23,24)
InChIKeyLVGHNOLMAIRTBN-UHFFFAOYSA-N
XLogP4.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.58
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-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 3528413
2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 961010
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
CID 936375
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 4094580
2,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
CID 3470943
2,4-dimethyl-N-[[4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 2200235
2,4-dimethyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
CID 960977
N-(anilinocarbamothioyl)-2,4-dimethylbenzamide
CID 961028
4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide
CID 815847
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796123
N-[(3,4-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 882008
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 961018

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide (CID 961000) is 2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide is Cc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide?
The InChIKey is LVGHNOLMAIRTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-13-7-10-18(14(2)11-13)19(23)22-20(24)21-17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,1-2H3,(H2,21,22,23,24).
What are the key properties of 2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide?
2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide has a molecular weight of 334.44 g/mol, XLogP of 4.58, 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-(naphthalen-2-ylcarbamothioyl)benzamide is sourced from PubChem (CID 961000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).