2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide

C21H26N2O2S — CID 2676389

IUPAC2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CSc1ccc(C)c(C)c1
InChIInChI=1S/C21H26N2O2S/c1-5-17-8-6-7-9-19(17)22-20(24)13-23(4)21(25)14-26-18-11-10-15(2)16(3)12-18/h6-12H,5,13-14H2,1-4H3,(H,22,24)
InChIKeyNDHRTRJAPWUUBS-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.06
Rot. Bonds7

About 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide

2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 2676389) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID2676389
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CSc1ccc(C)c(C)c1
InChIInChI=1S/C21H26N2O2S/c1-5-17-8-6-7-9-19(17)22-20(24)13-23(4)21(25)14-26-18-11-10-15(2)16(3)12-18/h6-12H,5,13-14H2,1-4H3,(H,22,24)
InChIKeyNDHRTRJAPWUUBS-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9428602
N-(2,5-dimethylphenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9041125
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2536523
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8527229
N-(2-chlorophenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9409895
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780066
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-propan-2-ylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17438109
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 8699567
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 7816336
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
N-(2-ethylphenyl)-2-[methyl-[2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 2545703
N-(2-ethylphenyl)-2-[[2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide
CID 2682449

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide (CID 2676389) is 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)C(=O)CSc1ccc(C)c(C)c1.
What is the InChIKey of 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is NDHRTRJAPWUUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-5-17-8-6-7-9-19(17)22-20(24)13-23(4)21(25)14-26-18-11-10-15(2)16(3)12-18/h6-12H,5,13-14H2,1-4H3,(H,22,24).
What are the key properties of 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 370.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 2676389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).