N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide

C16H16N2OS — CID 24707336

IUPACN-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2cccc(C(N)=S)c2)c1
InChIInChI=1S/C16H16N2OS/c1-10-6-11(2)8-13(7-10)16(19)18-14-5-3-4-12(9-14)15(17)20/h3-9H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyQPYIJQYMTGCYBC-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.19
Rot. Bonds3

About N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide

N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide (PubChem CID 24707336) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
PubChem CID24707336
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2cccc(C(N)=S)c2)c1
InChIInChI=1S/C16H16N2OS/c1-10-6-11(2)8-13(7-10)16(19)18-14-5-3-4-12(9-14)15(17)20/h3-9H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyQPYIJQYMTGCYBC-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.19
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-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
N-(3-carbamothioylphenyl)-4-hydroxybenzamide
CID 24695389
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
N-(3-carbamothioylphenyl)-3-chloro-4-methylbenzamide
CID 63195318
N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide
CID 106752978
N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide
CID 169358288
N-(3-carbamothioylphenyl)-3,4-dihydroxybenzamide
CID 107728355
3-carbamothioyl-N-(3-iodophenyl)benzamide
CID 28977640
N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918692
N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide
CID 29040184
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide (CID 24707336) is N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2cccc(C(N)=S)c2)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide?
The InChIKey is QPYIJQYMTGCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-6-11(2)8-13(7-10)16(19)18-14-5-3-4-12(9-14)15(17)20/h3-9H,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide?
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 24707336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).