ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate

C23H21NO3S — CID 67684745

IUPACethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(Cn2c(-c3ccccc3)cc3cc(OC)ccc32)s1
InChIInChI=1S/C23H21NO3S/c1-3-27-23(25)22-12-10-19(28-22)15-24-20-11-9-18(26-2)13-17(20)14-21(24)16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3
InChIKeyWWBNFMCCQWNZBG-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.60
Rot. Bonds6

About ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate

ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate (PubChem CID 67684745) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate
PubChem CID67684745
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Nameethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(Cn2c(-c3ccccc3)cc3cc(OC)ccc32)s1
InChIInChI=1S/C23H21NO3S/c1-3-27-23(25)22-12-10-19(28-22)15-24-20-11-9-18(26-2)13-17(20)14-21(24)16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3
InChIKeyWWBNFMCCQWNZBG-UHFFFAOYSA-N
XLogP5.60
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate
CID 67684990
ethyl 5-methoxy-1-prop-2-enylindole-2-carboxylate
CID 71427681
1-benzyl-2-(furan-3-yl)-5-methoxyindole
CID 141287669
ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 45051074
2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 67684970
methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
CID 67685173
ethyl 6-methoxy-1-benzothiophene-2-carboxylate
CID 11831419
5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole
CID 162070992
ethyl 1-[3-(4-methoxyanilino)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 4620061
ethyl 2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 132601961
ethyl 5-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 68699963

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate (CID 67684745) is ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate is CCOC(=O)c1ccc(Cn2c(-c3ccccc3)cc3cc(OC)ccc32)s1.
What is the InChIKey of ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate?
The InChIKey is WWBNFMCCQWNZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-3-27-23(25)22-12-10-19(28-22)15-24-20-11-9-18(26-2)13-17(20)14-21(24)16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3.
What are the key properties of ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate?
ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate has a molecular weight of 391.49 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate is sourced from PubChem (CID 67684745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).