2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide

C15H14ClN3O2S — CID 71580580

IUPAC2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(CCl)Nc1ccc(SCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H14ClN3O2S/c16-9-14(20)18-11-4-6-12(7-5-11)22-10-15(21)19-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,17,19,21)
InChIKeyOJDPPFDXWMAQQN-UHFFFAOYSA-N
MW335.82 g/mol
LogP2.99
Rot. Bonds6

About 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide

2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide (PubChem CID 71580580) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide
PubChem CID71580580
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(CCl)Nc1ccc(SCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H14ClN3O2S/c16-9-14(20)18-11-4-6-12(7-5-11)22-10-15(21)19-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,17,19,21)
InChIKeyOJDPPFDXWMAQQN-UHFFFAOYSA-N
XLogP2.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide (CID 71580580) is 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide is O=C(CCl)Nc1ccc(SCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is OJDPPFDXWMAQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c16-9-14(20)18-11-4-6-12(7-5-11)22-10-15(21)19-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,17,19,21).
What are the key properties of 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide?
2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 335.82 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 71580580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).