[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

C17H17ClN2O4S — CID 7146939

IUPAC[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESCc1cccc(C)c1NC(=O)CNC(=O)COC(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2O4S/c1-10-4-3-5-11(2)16(10)20-14(21)8-19-15(22)9-24-17(23)12-6-7-13(18)25-12/h3-7H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyFRONTKSNJDLKDL-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.93
Rot. Bonds6

About [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate (PubChem CID 7146939) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
PubChem CID7146939
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESCc1cccc(C)c1NC(=O)CNC(=O)COC(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2O4S/c1-10-4-3-5-11(2)16(10)20-14(21)8-19-15(22)9-24-17(23)12-6-7-13(18)25-12/h3-7H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyFRONTKSNJDLKDL-UHFFFAOYSA-N
XLogP2.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate with MolForge

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Related Compounds

[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483500
[2-[[2-(2-Chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2082531
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 4847543
[2-[4-(Diethylcarbamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146937
[2-(2-Ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807968
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 24978823
[N-(4-chloro-2-methylphenyl)carbamoyl]methyl thiophene-2-carboxylate
CID 724460
[2-(2,6-Diethylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 724470
[2-(3,5-Dichloroanilino)-2-oxo-1-phenylethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 3721147
[2-[[2-(2,6-Dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7837732
[2-[[2-(2,5-Dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 7837757
[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 7837811

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate (CID 7146939) is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate is Cc1cccc(C)c1NC(=O)CNC(=O)COC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The InChIKey is FRONTKSNJDLKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-10-4-3-5-11(2)16(10)20-14(21)8-19-15(22)9-24-17(23)12-6-7-13(18)25-12/h3-7H,8-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate has a molecular weight of 380.85 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 7146939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).