N-(4-carbamothioylphenyl)-2-methylbenzamide

C15H14N2OS — CID 24709642

IUPACN-(4-carbamothioylphenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H14N2OS/c1-10-4-2-3-5-13(10)15(18)17-12-8-6-11(7-9-12)14(16)19/h2-9H,1H3,(H2,16,19)(H,17,18)
InChIKeyYOGDXDCGNRDMPW-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.88
Rot. Bonds3

About N-(4-carbamothioylphenyl)-2-methylbenzamide

N-(4-carbamothioylphenyl)-2-methylbenzamide (PubChem CID 24709642) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-methylbenzamide
PubChem CID24709642
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(4-carbamothioylphenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H14N2OS/c1-10-4-2-3-5-13(10)15(18)17-12-8-6-11(7-9-12)14(16)19/h2-9H,1H3,(H2,16,19)(H,17,18)
InChIKeyYOGDXDCGNRDMPW-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.88
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-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-bromo-N-(4-carbamothioylphenyl)benzamide
CID 24690668
N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
CID 62103338
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
N-[4-(acetylcarbamothioylamino)phenyl]-2-methylbenzamide
CID 961064
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
N-[4-[(4-bromobenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
CID 54791811
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide
CID 170896427

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-methylbenzamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-methylbenzamide (CID 24709642) is N-(4-carbamothioylphenyl)-2-methylbenzamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-methylbenzamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-methylbenzamide?
The InChIKey is YOGDXDCGNRDMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-4-2-3-5-13(10)15(18)17-12-8-6-11(7-9-12)14(16)19/h2-9H,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-(4-carbamothioylphenyl)-2-methylbenzamide?
N-(4-carbamothioylphenyl)-2-methylbenzamide has a molecular weight of 270.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-methylbenzamide is sourced from PubChem (CID 24709642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).