ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate

C18H21NO3S2 — CID 19615726

IUPACethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C18H21NO3S2/c1-3-12-10-13(18(21)22-4-2)17(23-12)19-16(20)15-9-11-7-5-6-8-14(11)24-15/h9-10H,3-8H2,1-2H3,(H,19,20)
InChIKeyCPXVGMWLOURZNO-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.68
Rot. Bonds5

About ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate

ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 19615726) has the molecular formula C18H21NO3S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate
PubChem CID19615726
Molecular FormulaC18H21NO3S2
Molecular Weight363.50 g/mol
Exact Mass363.10
IUPAC Nameethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C18H21NO3S2/c1-3-12-10-13(18(21)22-4-2)17(23-12)19-16(20)15-9-11-7-5-6-8-14(11)24-15/h9-10H,3-8H2,1-2H3,(H,19,20)
InChIKeyCPXVGMWLOURZNO-UHFFFAOYSA-N
XLogP4.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate with MolForge

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Related Compounds

methyl 5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate
CID 19615826
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 5-ethyl-2-[[3-(methoxymethyl)benzoyl]amino]thiophene-3-carboxylate
CID 33146285
ethyl 2-[(2-amino-3-methylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 61259040
ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
CID 116658706
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
ethyl 5-ethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 1406514

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate (CID 19615726) is ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)c1cc2c(s1)CCCC2.
What is the InChIKey of ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is CPXVGMWLOURZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S2/c1-3-12-10-13(18(21)22-4-2)17(23-12)19-16(20)15-9-11-7-5-6-8-14(11)24-15/h9-10H,3-8H2,1-2H3,(H,19,20).
What are the key properties of ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate?
ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 19615726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).