ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate

C17H19NO3S — CID 964645

IUPACethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO3S/c1-4-13-10-14(17(20)21-5-2)16(22-13)18-15(19)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H,18,19)
InChIKeyOPTMUSRTGUJKPA-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.05
Rot. Bonds5

About ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate (PubChem CID 964645) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
PubChem CID964645
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Nameethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO3S/c1-4-13-10-14(17(20)21-5-2)16(22-13)18-15(19)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H,18,19)
InChIKeyOPTMUSRTGUJKPA-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-ethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 1406514
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083
ethyl 2-[(4-methylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
CID 46094798
ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 874629
methyl 5-ethyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 1014668
ethyl 5-ethyl-2-[[3-(methoxymethyl)benzoyl]amino]thiophene-3-carboxylate
CID 33146285
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 43408258
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
ethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 106685687

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate (CID 964645) is ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is OPTMUSRTGUJKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-4-13-10-14(17(20)21-5-2)16(22-13)18-15(19)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H,18,19).
What are the key properties of ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 317.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 964645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).