N-[(4-methylphenyl)carbamothioyl]benzamide

C15H14N2OS — CID 2787704

IUPACN-[(4-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(NC(=S)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2OS/c1-11-7-9-13(10-8-11)16-15(19)17-14(18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18,19)
InChIKeyKZULWIHHNWYETK-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.12
Rot. Bonds2

About N-[(4-methylphenyl)carbamothioyl]benzamide

N-[(4-methylphenyl)carbamothioyl]benzamide (PubChem CID 2787704) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)carbamothioyl]benzamide
PubChem CID2787704
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[(4-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(NC(=S)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2OS/c1-11-7-9-13(10-8-11)16-15(19)17-14(18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18,19)
InChIKeyKZULWIHHNWYETK-UHFFFAOYSA-N
XLogP3.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(4-methylphenyl)carbamothioyl]benzamide (CID 2787704) is N-[(4-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(4-methylphenyl)carbamothioyl]benzamide is Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)carbamothioyl]benzamide?
The InChIKey is KZULWIHHNWYETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11-7-9-13(10-8-11)16-15(19)17-14(18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18,19).
What are the key properties of N-[(4-methylphenyl)carbamothioyl]benzamide?
N-[(4-methylphenyl)carbamothioyl]benzamide has a molecular weight of 270.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 2787704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).