N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide

C19H22N2O2S — CID 31549286

IUPACN-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H22N2O2S/c1-13-8-14(2)10-16(9-13)11-24-12-19(23)21-18-6-4-17(5-7-18)20-15(3)22/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUENJHFHOLOAUFD-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.13
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide

N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide (PubChem CID 31549286) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
PubChem CID31549286
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H22N2O2S/c1-13-8-14(2)10-16(9-13)11-24-12-19(23)21-18-6-4-17(5-7-18)20-15(3)22/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUENJHFHOLOAUFD-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 875236
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 28771218
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 126190698
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99970900
1-[(3,5-dimethylphenyl)methylsulfanyl]propan-2-one
CID 79670956
ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate
CID 4215614
4-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 2239528
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17425092
2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7699280
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide (CID 31549286) is N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The InChIKey is UENJHFHOLOAUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-8-14(2)10-16(9-13)11-24-12-19(23)21-18-6-4-17(5-7-18)20-15(3)22/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide has a molecular weight of 342.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 31549286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).