N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide

C18H21NOS — CID 46587644

IUPACN-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NOS/c1-13-5-8-17(9-6-13)21-12-18(20)19-11-16-7-4-14(2)10-15(16)3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyQOEOVEVIJUKOIL-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.02
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide

N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 46587644) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID46587644
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NOS/c1-13-5-8-17(9-6-13)21-12-18(20)19-11-16-7-4-14(2)10-15(16)3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyQOEOVEVIJUKOIL-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 78851945
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94018852
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46771387
2-(4-methylphenyl)sulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8969492
2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide
CID 51332839
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119625677
3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
CID 119949663
N-carbamoyl-2-(4-methylphenyl)sulfanylacetamide
CID 8752877
2-(4-methylphenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 40709598

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide (CID 46587644) is N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NCc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is QOEOVEVIJUKOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13-5-8-17(9-6-13)21-12-18(20)19-11-16-7-4-14(2)10-15(16)3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 299.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 46587644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).