N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide

C16H15ClN2OS — CID 107805746

IUPACN-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)Nc1cccc(C)c1C(N)=S
InChIInChI=1S/C16H15ClN2OS/c1-9-6-7-11(17)8-12(9)16(20)19-13-5-3-4-10(2)14(13)15(18)21/h3-8H,1-2H3,(H2,18,21)(H,19,20)
InChIKeyMVEYSYIAXCXNJS-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.84
Rot. Bonds3

About N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide

N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide (PubChem CID 107805746) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
PubChem CID107805746
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)Nc1cccc(C)c1C(N)=S
InChIInChI=1S/C16H15ClN2OS/c1-9-6-7-11(17)8-12(9)16(20)19-13-5-3-4-10(2)14(13)15(18)21/h3-8H,1-2H3,(H2,18,21)(H,19,20)
InChIKeyMVEYSYIAXCXNJS-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.84
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-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515
5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide
CID 107805652
N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide
CID 63048603
1-(2-carbamothioyl-3-methylphenyl)-3-(3-chlorophenyl)urea
CID 107798926
N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 107805517
(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
CID 107805537
N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 107805614
N-(2-carbamothioyl-4-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82870456
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 107805578

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide (CID 107805746) is N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)Nc1cccc(C)c1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide?
The InChIKey is MVEYSYIAXCXNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-9-6-7-11(17)8-12(9)16(20)19-13-5-3-4-10(2)14(13)15(18)21/h3-8H,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide?
N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide has a molecular weight of 318.83 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide is sourced from PubChem (CID 107805746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).