N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide

C22H19NOS — CID 13262498

IUPACN-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(C(=O)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C22H19NOS/c1-17(18-11-5-2-6-12-18)23(21(24)19-13-7-3-8-14-19)22(25)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyRJVYFKIZUWHNTP-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.27
Rot. Bonds4

About N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide

N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide (PubChem CID 13262498) has the molecular formula C22H19NOS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide
PubChem CID13262498
Molecular FormulaC22H19NOS
Molecular Weight345.47 g/mol
Exact Mass345.12
IUPAC NameN-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(C(=O)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C22H19NOS/c1-17(18-11-5-2-6-12-18)23(21(24)19-13-7-3-8-14-19)22(25)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyRJVYFKIZUWHNTP-UHFFFAOYSA-N
XLogP5.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
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-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide?
The IUPAC name of N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide (CID 13262498) is N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide is CC(c1ccccc1)N(C(=O)c1ccccc1)C(=S)c1ccccc1.
What is the InChIKey of N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide?
The InChIKey is RJVYFKIZUWHNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NOS/c1-17(18-11-5-2-6-12-18)23(21(24)19-13-7-3-8-14-19)22(25)20-15-9-4-10-16-20/h2-17H,1H3.
What are the key properties of N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide?
N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide has a molecular weight of 345.47 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 13262498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).