2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide

C15H14ClN3O2S — CID 2100279

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10(20)18-12-3-5-13(6-4-12)22-9-15(21)19-14-7-2-11(16)8-17-14/h2-8H,9H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyVHUHLMGJIBNDHP-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 2100279) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID2100279
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10(20)18-12-3-5-13(6-4-12)22-9-15(21)19-14-7-2-11(16)8-17-14/h2-8H,9H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyVHUHLMGJIBNDHP-UHFFFAOYSA-N
XLogP3.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}acetamide
CID 669666
2-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)acetamide
CID 2985129
1-(5-Chloropyridin-2-yl)-3-(4-fluorophenyl)urea
CID 661457
1-(2-Chlorophenyl)-3-(5-chloropyridin-2-yl)urea
CID 708793
AJ-333/36115006
CID 902012
N-(3-chloro-2-pyridinyl)-2-phenyl-2-(phenylsulfanyl)acetamide
CID 3915320
1-(3-Chloropyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)-phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11247815
N-(5-chloropyridin-2-yl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135468959
1-(5-Chloropyridin-2-yl)-3-(3-fluorophenyl)urea
CID 878391
1-(4-Methylpyridin-2-yl)-3-(4-methylsulfanylphenyl)urea
CID 285402
N-(5-chloropyridin-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2125057
3-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)propanamide
CID 3163448

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide (CID 2100279) is 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is VHUHLMGJIBNDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-10(20)18-12-3-5-13(6-4-12)22-9-15(21)19-14-7-2-11(16)8-17-14/h2-8H,9H2,1H3,(H,18,20)(H,17,19,21).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 335.82 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 2100279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).