N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide

C21H17ClN2OS — CID 2765790

IUPACN-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17ClN2OS/c22-18-11-13-19(14-12-18)26-15-20(25)23-24-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,23,25)
InChIKeyFFPXWLYNGHCXMI-UHFFFAOYSA-N
MW380.90 g/mol
LogP5.00
Rot. Bonds6

About N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide

N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 2765790) has the molecular formula C21H17ClN2OS and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID2765790
Molecular FormulaC21H17ClN2OS
Molecular Weight380.90 g/mol
Exact Mass380.08
IUPAC NameN-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17ClN2OS/c22-18-11-13-19(14-12-18)26-15-20(25)23-24-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,23,25)
InChIKeyFFPXWLYNGHCXMI-UHFFFAOYSA-N
XLogP5.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide (CID 2765790) is N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is FFPXWLYNGHCXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2OS/c22-18-11-13-19(14-12-18)26-15-20(25)23-24-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,23,25).
What are the key properties of N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide?
N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 380.90 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 2765790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).