[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate

C18H20N2O4S — CID 7648672

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)s1
InChIInChI=1S/C18H20N2O4S/c1-11-9-15(12(2)25-11)18(23)24-10-16(21)19-14-7-5-13(6-8-14)17(22)20(3)4/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyOWAFHCRMMBXCAF-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.86
Rot. Bonds5

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate (PubChem CID 7648672) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
PubChem CID7648672
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)s1
InChIInChI=1S/C18H20N2O4S/c1-11-9-15(12(2)25-11)18(23)24-10-16(21)19-14-7-5-13(6-8-14)17(22)20(3)4/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyOWAFHCRMMBXCAF-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648305
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771946
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509050
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7594118
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586962
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648215
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782647
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 29406989
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561915
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658714
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate
CID 2498662
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-nitrobenzoate
CID 2619648

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate (CID 7648672) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)s1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The InChIKey is OWAFHCRMMBXCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-11-9-15(12(2)25-11)18(23)24-10-16(21)19-14-7-5-13(6-8-14)17(22)20(3)4/h5-9H,10H2,1-4H3,(H,19,21).
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate has a molecular weight of 360.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 7648672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).