2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide

C15H13Cl2N3O2S — CID 71580481

IUPAC2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide
SMILESO=C(CCl)Nc1ccc(SCC(=O)Nc2cc(Cl)ccn2)cc1
InChIInChI=1S/C15H13Cl2N3O2S/c16-8-14(21)19-11-1-3-12(4-2-11)23-9-15(22)20-13-7-10(17)5-6-18-13/h1-7H,8-9H2,(H,19,21)(H,18,20,22)
InChIKeyNZQNDMRWWUZITR-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.64
Rot. Bonds6

About 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide

2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide (PubChem CID 71580481) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide
PubChem CID71580481
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide
SMILESO=C(CCl)Nc1ccc(SCC(=O)Nc2cc(Cl)ccn2)cc1
InChIInChI=1S/C15H13Cl2N3O2S/c16-8-14(21)19-11-1-3-12(4-2-11)23-9-15(22)20-13-7-10(17)5-6-18-13/h1-7H,8-9H2,(H,19,21)(H,18,20,22)
InChIKeyNZQNDMRWWUZITR-UHFFFAOYSA-N
XLogP3.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.64
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-(4-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide (CID 71580481) is 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide is O=C(CCl)Nc1ccc(SCC(=O)Nc2cc(Cl)ccn2)cc1.
What is the InChIKey of 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide?
The InChIKey is NZQNDMRWWUZITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c16-8-14(21)19-11-1-3-12(4-2-11)23-9-15(22)20-13-7-10(17)5-6-18-13/h1-7H,8-9H2,(H,19,21)(H,18,20,22).
What are the key properties of 2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide?
2-[4-[(2-chloroacetyl)amino]phenyl]sulfanyl-N-(4-chloro-2-pyridinyl)acetamide has a molecular weight of 370.26 g/mol, XLogP of 3.64, 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-(4-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 71580481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).