N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide

C16H17ClN2OS — CID 161086705

IUPACN-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
SMILESCc1cc(NC(=O)CSCCc2ccccn2)ccc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-12-10-14(5-6-15(12)17)19-16(20)11-21-9-7-13-4-2-3-8-18-13/h2-6,8,10H,7,9,11H2,1H3,(H,19,20)
InChIKeyHPEUNKSQMMVHAS-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.96
Rot. Bonds6

About N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide

N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide (PubChem CID 161086705) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
PubChem CID161086705
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC NameN-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
SMILESCc1cc(NC(=O)CSCCc2ccccn2)ccc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-12-10-14(5-6-15(12)17)19-16(20)11-21-9-7-13-4-2-3-8-18-13/h2-6,8,10H,7,9,11H2,1H3,(H,19,20)
InChIKeyHPEUNKSQMMVHAS-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-(4-acetylphenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide
CID 5108873
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527
N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 43679078
N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 119438197
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-2-ylmethylamino)acetamide
CID 108999180
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide
CID 141052646

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide (CID 161086705) is N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide is Cc1cc(NC(=O)CSCCc2ccccn2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The InChIKey is HPEUNKSQMMVHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-12-10-14(5-6-15(12)17)19-16(20)11-21-9-7-13-4-2-3-8-18-13/h2-6,8,10H,7,9,11H2,1H3,(H,19,20).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide has a molecular weight of 320.85 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide is sourced from PubChem (CID 161086705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).