N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide

C15H15N3OS — CID 169358288

IUPACN-[3-(carbamothioylamino)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(NC(N)=S)c2)c1
InChIInChI=1S/C15H15N3OS/c1-10-4-2-5-11(8-10)14(19)17-12-6-3-7-13(9-12)18-15(16)20/h2-9H,1H3,(H,17,19)(H3,16,18,20)
InChIKeyKHGYEJDCDCHPEB-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.90
Rot. Bonds3

About N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide

N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide (PubChem CID 169358288) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(carbamothioylamino)phenyl]-3-methylbenzamide
PubChem CID169358288
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[3-(carbamothioylamino)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(NC(N)=S)c2)c1
InChIInChI=1S/C15H15N3OS/c1-10-4-2-5-11(8-10)14(19)17-12-6-3-7-13(9-12)18-15(16)20/h2-9H,1H3,(H,17,19)(H3,16,18,20)
InChIKeyKHGYEJDCDCHPEB-UHFFFAOYSA-N
XLogP2.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
2-methyl-4-[(3-methylbenzoyl)amino]benzamide
CID 126612438
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
N-(3-methylphenyl)-3-(phenylcarbamothioylamino)benzamide
CID 26164526
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-[(3-methylphenyl)carbamoyl]benzoyl chloride
CID 101097986
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide (CID 169358288) is N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(NC(N)=S)c2)c1.
What is the InChIKey of N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide?
The InChIKey is KHGYEJDCDCHPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-4-2-5-11(8-10)14(19)17-12-6-3-7-13(9-12)18-15(16)20/h2-9H,1H3,(H,17,19)(H3,16,18,20).
What are the key properties of N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide?
N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide has a molecular weight of 285.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide is sourced from PubChem (CID 169358288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).