[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate

C20H23ClN2O4S — CID 8644595

IUPAC[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)COC(=O)c1cc(C)sc1C
InChIInChI=1S/C20H23ClN2O4S/c1-5-23(10-18(24)22-17-9-15(21)7-6-12(17)2)19(25)11-27-20(26)16-8-13(3)28-14(16)4/h6-9H,5,10-11H2,1-4H3,(H,22,24)
InChIKeyKKSYJEGLIXRYDO-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.97
Rot. Bonds7

About [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate

[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate (PubChem CID 8644595) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
PubChem CID8644595
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)COC(=O)c1cc(C)sc1C
InChIInChI=1S/C20H23ClN2O4S/c1-5-23(10-18(24)22-17-9-15(21)7-6-12(17)2)19(25)11-27-20(26)16-8-13(3)28-14(16)4/h6-9H,5,10-11H2,1-4H3,(H,22,24)
InChIKeyKKSYJEGLIXRYDO-UHFFFAOYSA-N
XLogP3.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8877926
2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 9017928
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509015
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636423
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetamide
CID 8908053
[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604094
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide
CID 8804445
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123082
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-ethylacetamide
CID 8539829
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050657
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8793283

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate (CID 8644595) is [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)COC(=O)c1cc(C)sc1C.
What is the InChIKey of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The InChIKey is KKSYJEGLIXRYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-5-23(10-18(24)22-17-9-15(21)7-6-12(17)2)19(25)11-27-20(26)16-8-13(3)28-14(16)4/h6-9H,5,10-11H2,1-4H3,(H,22,24).
What are the key properties of [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate has a molecular weight of 422.93 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 8644595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).