N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide

C18H21NO2S — CID 7799539

IUPACN-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21NO2S/c1-12-8-13(2)18(14(3)9-12)22-11-17(20)19-15-6-5-7-16(10-15)21-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyBHESIWQWBLGEGQ-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.35
Rot. Bonds5

About N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide

N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide (PubChem CID 7799539) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
PubChem CID7799539
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21NO2S/c1-12-8-13(2)18(14(3)9-12)22-11-17(20)19-15-6-5-7-16(10-15)21-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyBHESIWQWBLGEGQ-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208
2-(2,4-dimethylphenyl)-N-(3-methoxyphenyl)acetamide
CID 56920709
N-(3-methoxyphenyl)-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1153321
N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 26915197
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-[(3-methoxyphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51488436
2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 92513721
N-(3-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316652
2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 126181557
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
N-(3-methoxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1153812
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide (CID 7799539) is N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide is COc1cccc(NC(=O)CSc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
The InChIKey is BHESIWQWBLGEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-8-13(2)18(14(3)9-12)22-11-17(20)19-15-6-5-7-16(10-15)21-4/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 7799539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).