2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide

C17H18ClNOS — CID 846748

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNOS/c1-12-3-4-13(2)16(9-12)19-17(20)11-21-10-14-5-7-15(18)8-6-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyAGHPOFIEXHROJL-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.83
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 846748) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID846748
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNOS/c1-12-3-4-13(2)16(9-12)19-17(20)11-21-10-14-5-7-15(18)8-6-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyAGHPOFIEXHROJL-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 8712604
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 2857117
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851
[4-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-3-methylphenyl] thiocyanate
CID 8580271
3-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate
CID 9322946
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172
3-benzylsulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 8797847
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide (CID 846748) is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CSCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is AGHPOFIEXHROJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-12-3-4-13(2)16(9-12)19-17(20)11-21-10-14-5-7-15(18)8-6-14/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 319.86 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 846748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).