2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide

C19H20Cl2N2O2S — CID 2536523

IUPAC2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O2S/c1-3-13-6-4-5-7-16(13)22-18(24)11-23(2)19(25)12-26-17-10-14(20)8-9-15(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyQWOHURINOKKFIT-UHFFFAOYSA-N
MW411.35 g/mol
LogP4.74
Rot. Bonds7

About 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide

2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 2536523) has the molecular formula C19H20Cl2N2O2S and a molecular weight of 411.35 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID2536523
Molecular FormulaC19H20Cl2N2O2S
Molecular Weight411.35 g/mol
Exact Mass410.06
IUPAC Name2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O2S/c1-3-13-6-4-5-7-16(13)22-18(24)11-23(2)19(25)12-26-17-10-14(20)8-9-15(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyQWOHURINOKKFIT-UHFFFAOYSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676389
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9335080
(E)-3-(2,5-dichlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55456685
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8529946
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9428602
2-[[2-(3,4-dichlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2521635
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
CID 9438210
N-(2-chlorophenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 7799529
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
N-(2-chlorophenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9409895
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586
4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9378628

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide (CID 2536523) is 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)C(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is QWOHURINOKKFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2S/c1-3-13-6-4-5-7-16(13)22-18(24)11-23(2)19(25)12-26-17-10-14(20)8-9-15(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 411.35 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 2536523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).