[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate

C16H16N2O4S — CID 8645620

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)c2ccsc2)c1
InChIInChI=1S/C16H16N2O4S/c1-2-17-15(20)11-4-3-5-13(8-11)18-14(19)9-22-16(21)12-6-7-23-10-12/h3-8,10H,2,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyPARBMGCVGBIIJV-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.29
Rot. Bonds6

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate (PubChem CID 8645620) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate
PubChem CID8645620
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)c2ccsc2)c1
InChIInChI=1S/C16H16N2O4S/c1-2-17-15(20)11-4-3-5-13(8-11)18-14(19)9-22-16(21)12-6-7-23-10-12/h3-8,10H,2,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyPARBMGCVGBIIJV-UHFFFAOYSA-N
XLogP2.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-bromobenzoate
CID 9017331
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 27893664
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9079069
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-nitrobenzoate
CID 9008380
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229077
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886696
1-O-ethyl 4-O-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-but-2-enedioate
CID 9015321
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 9229993
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 9339677
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197884
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 40717948

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate (CID 8645620) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate is CCNC(=O)c1cccc(NC(=O)COC(=O)c2ccsc2)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate?
The InChIKey is PARBMGCVGBIIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-2-17-15(20)11-4-3-5-13(8-11)18-14(19)9-22-16(21)12-6-7-23-10-12/h3-8,10H,2,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate is sourced from PubChem (CID 8645620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).