[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate

C19H22N2O4S — CID 7837757

IUPAC[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)COC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C19H22N2O4S/c1-12-5-6-13(2)15(9-12)20-17(22)10-21(4)18(23)11-25-19(24)16-8-7-14(3)26-16/h5-9H,10-11H2,1-4H3,(H,20,22)
InChIKeyFUWQJXPBQHJPIU-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.93
Rot. Bonds6

About [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 7837757) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID7837757
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)COC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C19H22N2O4S/c1-12-5-6-13(2)15(9-12)20-17(22)10-21(4)18(23)11-25-19(24)16-8-7-14(3)26-16/h5-9H,10-11H2,1-4H3,(H,20,22)
InChIKeyFUWQJXPBQHJPIU-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-morpholin-4-yl-5-(2-thienylcarbonylamino)benzoate
CID 3163308
[2-(3-Acetylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 2353604
2-[[4-(Acetylamino)phenyl]amino]-2-oxoethyl 5-methyl-2-thiophenecarboxylate
CID 2378830
[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2432753
[2-(N-methylanilino)-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 2668983
[2-(3-Acetylanilino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 4220137
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-acetamidobenzoate
CID 4828912
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7352144
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602649
[2-(3-Methylanilino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 24817940
Ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[2-(methylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 24818024
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 24979946

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 7837757) is [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C)c(NC(=O)CN(C)C(=O)COC(=O)c2ccc(C)s2)c1.
What is the InChIKey of [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is FUWQJXPBQHJPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12-5-6-13(2)15(9-12)20-17(22)10-21(4)18(23)11-25-19(24)16-8-7-14(3)26-16/h5-9H,10-11H2,1-4H3,(H,20,22).
What are the key properties of [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 7837757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).