2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide

C18H21NOS — CID 6915473

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCc1ccc(SCC(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H21NOS/c1-13-9-10-17(14(2)11-13)21-12-18(20)19-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)
InChIKeyMZYKRUHECXZBNT-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.27
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 6915473) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID6915473
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCc1ccc(SCC(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H21NOS/c1-13-9-10-17(14(2)11-13)21-12-18(20)19-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)
InChIKeyMZYKRUHECXZBNT-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2119755
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54812168
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9218856
2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 43304215
2-[[4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 137137660
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 52772198

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide (CID 6915473) is 2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide is Cc1ccc(SCC(=O)NC(C)c2ccccc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is MZYKRUHECXZBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13-9-10-17(14(2)11-13)21-12-18(20)19-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 299.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 6915473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).