[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

C17H17ClN2O4S — CID 7146879

IUPAC[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESCc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc(Cl)s2)c1C
InChIInChI=1S/C17H17ClN2O4S/c1-10-4-3-5-12(11(10)2)20-15(21)8-19-16(22)9-24-17(23)13-6-7-14(18)25-13/h3-7H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJOPWBHOSAUIIJJ-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.93
Rot. Bonds6

About [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate (PubChem CID 7146879) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
PubChem CID7146879
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESCc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc(Cl)s2)c1C
InChIInChI=1S/C17H17ClN2O4S/c1-10-4-3-5-12(11(10)2)20-15(21)8-19-16(22)9-24-17(23)13-6-7-14(18)25-13/h3-7H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJOPWBHOSAUIIJJ-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-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate with MolForge

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-(2,3-dimethylphenyl)-4-oxobutanamide
CID 26538534
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7382611
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 7505442
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 7862075
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633220
cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7778232
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
[2-(2-methylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238274
4-(5-chlorothiophen-2-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 27808264
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7891014
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7858908
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26661051

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate (CID 7146879) is [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate is Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc(Cl)s2)c1C.
What is the InChIKey of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The InChIKey is JOPWBHOSAUIIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-10-4-3-5-12(11(10)2)20-15(21)8-19-16(22)9-24-17(23)13-6-7-14(18)25-13/h3-7H,8-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
[2-[[2-(2,3-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-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 7146879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).