ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate

C18H21NO4S — CID 874629

IUPACethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(OCC)c1
InChIInChI=1S/C18H21NO4S/c1-4-14-11-15(18(21)23-6-3)17(24-14)19-16(20)12-8-7-9-13(10-12)22-5-2/h7-11H,4-6H2,1-3H3,(H,19,20)
InChIKeyVOUSMHXBOWFNLN-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.14
Rot. Bonds7

About ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate

ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate (PubChem CID 874629) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
PubChem CID874629
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Nameethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(OCC)c1
InChIInChI=1S/C18H21NO4S/c1-4-14-11-15(18(21)23-6-3)17(24-14)19-16(20)12-8-7-9-13(10-12)22-5-2/h7-11H,4-6H2,1-3H3,(H,19,20)
InChIKeyVOUSMHXBOWFNLN-UHFFFAOYSA-N
XLogP4.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 874617
ethyl 5-ethyl-2-[[3-(methoxymethyl)benzoyl]amino]thiophene-3-carboxylate
CID 33146285
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
ethyl 5-ethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 1406514
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083
ethyl 5-ethyl-2-[(2-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylate
CID 2799306
2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 4957428
ethyl 2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 110504013
ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616683
ethyl 5-ethyl-2-[[2-(3-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 7865151

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate (CID 874629) is ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(OCC)c1.
What is the InChIKey of ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate?
The InChIKey is VOUSMHXBOWFNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-4-14-11-15(18(21)23-6-3)17(24-14)19-16(20)12-8-7-9-13(10-12)22-5-2/h7-11H,4-6H2,1-3H3,(H,19,20).
What are the key properties of ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate?
ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate has a molecular weight of 347.44 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 874629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).