2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide

C14H13ClN2OS — CID 2084132

IUPAC2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2OS/c15-12-6-7-13(16-8-12)17-14(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,17,18)
InChIKeySWAREJSEYHCODV-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.61
Rot. Bonds5

About 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide

2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 2084132) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID2084132
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2OS/c15-12-6-7-13(16-8-12)17-14(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,17,18)
InChIKeySWAREJSEYHCODV-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide (CID 2084132) is 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide is O=C(CSCc1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is SWAREJSEYHCODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-12-6-7-13(16-8-12)17-14(18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,17,18).
What are the key properties of 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 292.79 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 2084132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).