2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C14H12ClN3OS — CID 6895975

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C/c1cccnc1
InChIInChI=1S/C14H12ClN3OS/c15-12-3-5-13(6-4-12)20-10-14(19)18-17-9-11-2-1-7-16-8-11/h1-9H,10H2,(H,18,19)/b17-9+
InChIKeyUUYSRSHGKWBVBM-RQZCQDPDSA-N
MW305.79 g/mol
LogP2.98
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 6895975) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID6895975
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C/c1cccnc1
InChIInChI=1S/C14H12ClN3OS/c15-12-3-5-13(6-4-12)20-10-14(19)18-17-9-11-2-1-7-16-8-11/h1-9H,10H2,(H,18,19)/b17-9+
InChIKeyUUYSRSHGKWBVBM-RQZCQDPDSA-N
XLogP2.98
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 6895975) is 2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccnc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is UUYSRSHGKWBVBM-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c15-12-3-5-13(6-4-12)20-10-14(19)18-17-9-11-2-1-7-16-8-11/h1-9H,10H2,(H,18,19)/b17-9+.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 305.79 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 6895975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).