ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate

C15H15NO3S — CID 5201131

IUPACethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC2)sc2ccccc12
InChIInChI=1S/C15H15NO3S/c1-2-19-15(18)12-10-5-3-4-6-11(10)20-14(12)16-13(17)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyVJZSYQGIECGYLW-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.43
Rot. Bonds4

About ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate

ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate (PubChem CID 5201131) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate
PubChem CID5201131
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Nameethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC2)sc2ccccc12
InChIInChI=1S/C15H15NO3S/c1-2-19-15(18)12-10-5-3-4-6-11(10)20-14(12)16-13(17)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyVJZSYQGIECGYLW-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diiodovanadium;ethyl 2-amino-1-benzothiophene-3-carboxylate;ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate;iodomethane
CID 157395462
ethyl 2-[(2-bromobenzoyl)amino]-1-benzothiophene-3-carboxylate
CID 1291201
ethyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzothiophene-3-carboxylate
CID 6278786
ethyl 2-[[2-(benzenesulfonyl)acetyl]amino]-1-benzothiophene-3-carboxylate
CID 7673259
ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1-benzothiophene-3-carboxylate
CID 8699840
ethyl 2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzothiophene-3-carboxylate
CID 7673266
ethyl 2-(cyclopropanecarbonylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate
CID 23973069
butyl 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1-benzothiophene-3-carboxylate
CID 5055359
ethyl 2-[(2-chloropyridine-3-carbonyl)amino]-1-benzothiophene-3-carboxylate
CID 4098664
ethyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-1-benzothiophene-3-carboxylate
CID 4173539
ethyl 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate
CID 6075714
ethyl 2-(cyclopropanecarbonylamino)-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1092221

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate?
The IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate (CID 5201131) is ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)C2CC2)sc2ccccc12.
What is the InChIKey of ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate?
The InChIKey is VJZSYQGIECGYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-19-15(18)12-10-5-3-4-6-11(10)20-14(12)16-13(17)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H,16,17).
What are the key properties of ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate?
ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate is sourced from PubChem (CID 5201131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).