N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide

C22H19N3O2S — CID 1048139

IUPACN-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-15(26)23-19-11-13-20(14-12-19)24-22(28)25-21(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,1H3,(H,23,26)(H2,24,25,27,28)
InChIKeyKZJDYEZTWWHTMW-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.44
Rot. Bonds4

About N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide

N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide (PubChem CID 1048139) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide
PubChem CID1048139
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide
SMILESCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-15(26)23-19-11-13-20(14-12-19)24-22(28)25-21(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,1H3,(H,23,26)(H2,24,25,27,28)
InChIKeyKZJDYEZTWWHTMW-UHFFFAOYSA-N
XLogP4.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-acetamidophenyl)carbamothioyl]-4-phenylbenzamide?
The IUPAC name of N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide (CID 1048139) is N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide?
The canonical SMILES for N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide is CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide?
The InChIKey is KZJDYEZTWWHTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15(26)23-19-11-13-20(14-12-19)24-22(28)25-21(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,1H3,(H,23,26)(H2,24,25,27,28).
What are the key properties of N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide?
N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide has a molecular weight of 389.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)carbamothioyl]-4-phenylbenzamide is sourced from PubChem (CID 1048139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).