N-(3-carbamothioylphenyl)-N-methylbenzamide

C15H14N2OS — CID 62969755

IUPACN-(3-carbamothioylphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1cccc(C(N)=S)c1
InChIInChI=1S/C15H14N2OS/c1-17(15(18)11-6-3-2-4-7-11)13-9-5-8-12(10-13)14(16)19/h2-10H,1H3,(H2,16,19)
InChIKeyWFWFBZAZBZTXQH-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.60
Rot. Bonds3

About N-(3-carbamothioylphenyl)-N-methylbenzamide

N-(3-carbamothioylphenyl)-N-methylbenzamide (PubChem CID 62969755) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-N-methylbenzamide
PubChem CID62969755
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(3-carbamothioylphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1cccc(C(N)=S)c1
InChIInChI=1S/C15H14N2OS/c1-17(15(18)11-6-3-2-4-7-11)13-9-5-8-12(10-13)14(16)19/h2-10H,1H3,(H2,16,19)
InChIKeyWFWFBZAZBZTXQH-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide
CID 107703258
N-(3-carbamothioylphenyl)-4-ethyl-N-methylbenzamide
CID 62970983
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
N-(3-carbamothioylphenyl)-3,4-dichloro-N-methylbenzamide
CID 62969759
N-(3-carbamothioylphenyl)-N-methylpyridine-2-carboxamide
CID 62970625
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
methyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969639
N-(3-carbamothioylphenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 62970121
N-(3-carbamothioylphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 55141561
N-methyl-N-[3-(N-methylanilino)phenyl]benzamide
CID 129066255
5-bromo-N-(3-carbamothioylphenyl)-N-methylthiophene-2-carboxamide
CID 62972030
5-bromo-N-(3-carbamothioylphenyl)-N-methylfuran-2-carboxamide
CID 62969760

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-N-methylbenzamide?
The IUPAC name of N-(3-carbamothioylphenyl)-N-methylbenzamide (CID 62969755) is N-(3-carbamothioylphenyl)-N-methylbenzamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-N-methylbenzamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-N-methylbenzamide is CN(C(=O)c1ccccc1)c1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-N-methylbenzamide?
The InChIKey is WFWFBZAZBZTXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-17(15(18)11-6-3-2-4-7-11)13-9-5-8-12(10-13)14(16)19/h2-10H,1H3,(H2,16,19).
What are the key properties of N-(3-carbamothioylphenyl)-N-methylbenzamide?
N-(3-carbamothioylphenyl)-N-methylbenzamide has a molecular weight of 270.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-N-methylbenzamide is sourced from PubChem (CID 62969755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).