2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide

C20H24N4O2S — CID 78821213

IUPAC2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C20H24N4O2S/c1-5-15-8-6-7-9-17(15)22-18(25)11-24(4)12-19(26)23-20-16(10-21)13(2)14(3)27-20/h6-9H,5,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyANRGONDEBLWCFG-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.31
Rot. Bonds7

About 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide

2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 78821213) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID78821213
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C20H24N4O2S/c1-5-15-8-6-7-9-17(15)22-18(25)11-24(4)12-19(26)23-20-16(10-21)13(2)14(3)27-20/h6-9H,5,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyANRGONDEBLWCFG-UHFFFAOYSA-N
XLogP3.31
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide with MolForge

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 61111501
2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 17173428
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 78826535
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 7287148
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 71976792
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
CID 8789459
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820896
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide (CID 78821213) is 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1sc(C)c(C)c1C#N.
What is the InChIKey of 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is ANRGONDEBLWCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-5-15-8-6-7-9-17(15)22-18(25)11-24(4)12-19(26)23-20-16(10-21)13(2)14(3)27-20/h6-9H,5,11-12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 384.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 78821213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).