2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide

C15H15ClN2O3S — CID 51319417

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2ncccc2Cl)cc(OC)c1
InChIInChI=1S/C15H15ClN2O3S/c1-20-11-6-10(7-12(8-11)21-2)18-14(19)9-22-15-13(16)4-3-5-17-15/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLSFNZWHBRVYVQD-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.48
Rot. Bonds6

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 51319417) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID51319417
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2ncccc2Cl)cc(OC)c1
InChIInChI=1S/C15H15ClN2O3S/c1-20-11-6-10(7-12(8-11)21-2)18-14(19)9-22-15-13(16)4-3-5-17-15/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLSFNZWHBRVYVQD-UHFFFAOYSA-N
XLogP3.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 859319
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 46693870
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 1432550
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 4791887
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 1445422
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 51319532
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 51319436
2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 46393622
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 24601997
N-(3,5-dimethoxyphenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579515
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 17186421

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide (CID 51319417) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CSc2ncccc2Cl)cc(OC)c1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is LSFNZWHBRVYVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-20-11-6-10(7-12(8-11)21-2)18-14(19)9-22-15-13(16)4-3-5-17-15/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 338.82 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 51319417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).