ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate

C19H16N2O2S — CID 11232986

IUPACethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1sc2ccccc2c1Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H16N2O2S/c1-2-23-19(22)18-17(14-5-3-4-6-16(14)24-18)21-13-7-8-15-12(11-13)9-10-20-15/h3-11,20-21H,2H2,1H3
InChIKeySXOIXJRERKYJCT-UHFFFAOYSA-N
MW336.42 g/mol
LogP5.30
Rot. Bonds4

About ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate

ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate (PubChem CID 11232986) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate
PubChem CID11232986
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Nameethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1sc2ccccc2c1Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H16N2O2S/c1-2-23-19(22)18-17(14-5-3-4-6-16(14)24-18)21-13-7-8-15-12(11-13)9-10-20-15/h3-11,20-21H,2H2,1H3
InChIKeySXOIXJRERKYJCT-UHFFFAOYSA-N
XLogP5.30
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.42
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]-1-benzothiophene-2-carboxylate
CID 90349484
ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate
CID 58826951
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
ethyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 8721611
ethyl (2R,3S)-3-(1H-indol-5-ylcarbamoylamino)-2-methylbutanoate
CID 124625330
N-(4-methylphenyl)-1H-indol-5-amine
CID 58867969
diethyl 4-(1H-indol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 50901650
ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate
CID 168876067
methyl 3-(methylamino)-1-benzothiophene-2-carboxylate
CID 12789528
ethyl 3-(propan-2-yliminomethylideneamino)-1-benzothiophene-2-carboxylate
CID 44542446
ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate
CID 11369716
ethyl 3-(2-bromobenzoyl)oxy-1-benzothiophene-2-carboxylate
CID 1038250

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate?
The IUPAC name of ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate (CID 11232986) is ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate?
The canonical SMILES for ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate is CCOC(=O)c1sc2ccccc2c1Nc1ccc2[nH]ccc2c1.
What is the InChIKey of ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate?
The InChIKey is SXOIXJRERKYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-2-23-19(22)18-17(14-5-3-4-6-16(14)24-18)21-13-7-8-15-12(11-13)9-10-20-15/h3-11,20-21H,2H2,1H3.
What are the key properties of ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate?
ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate has a molecular weight of 336.42 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1H-indol-5-ylamino)-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 11232986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).