N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

C18H21NOS — CID 24679630

IUPACN-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H21NOS/c1-12-6-8-16(15(4)9-12)19-18(20)11-21-17-10-13(2)5-7-14(17)3/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyQIQBPDFATMHGFM-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.65
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 24679630) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID24679630
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H21NOS/c1-12-6-8-16(15(4)9-12)19-18(20)11-21-17-10-13(2)5-7-14(17)3/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyQIQBPDFATMHGFM-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-methylbenzoate
CID 36934480
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141313
2-(5-bromo-2-methylphenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 1180161
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119440366
N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2708614
N-(2-chloro-4-fluorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708633
2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide
CID 42150419

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 24679630) is N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2cc(C)ccc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is QIQBPDFATMHGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-12-6-8-16(15(4)9-12)19-18(20)11-21-17-10-13(2)5-7-14(17)3/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 299.44 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 24679630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).