3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide

C15H15ClN2OS2 — CID 134012279

IUPAC3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCSc1ncccc1Cl
InChIInChI=1S/C15H15ClN2OS2/c1-20-13-7-3-2-6-12(13)18-14(19)8-10-21-15-11(16)5-4-9-17-15/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyORHIXLQZTSMAQI-UHFFFAOYSA-N
MW338.89 g/mol
LogP4.58
Rot. Bonds6

About 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide

3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 134012279) has the molecular formula C15H15ClN2OS2 and a molecular weight of 338.89 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
PubChem CID134012279
Molecular FormulaC15H15ClN2OS2
Molecular Weight338.89 g/mol
Exact Mass338.03
IUPAC Name3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCSc1ncccc1Cl
InChIInChI=1S/C15H15ClN2OS2/c1-20-13-7-3-2-6-12(13)18-14(19)8-10-21-15-11(16)5-4-9-17-15/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyORHIXLQZTSMAQI-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.89
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 47154150
3-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
CID 55482415
N-(2-bromophenyl)-2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]acetamide
CID 55496429
4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide
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3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
CID 52546899
N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800
3-chloro-2-(2-chloroethylsulfanyl)pyridine
CID 43446290
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 24601940
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 100606765
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
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2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide (CID 134012279) is 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)CCSc1ncccc1Cl.
What is the InChIKey of 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is ORHIXLQZTSMAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS2/c1-20-13-7-3-2-6-12(13)18-14(19)8-10-21-15-11(16)5-4-9-17-15/h2-7,9H,8,10H2,1H3,(H,18,19).
What are the key properties of 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide?
3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 338.89 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 134012279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).