ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate

C20H21NO4S — CID 11417402

IUPACethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate
SMILESCCOC(=O)CCc1c(C)n(C(=O)c2cccs2)c2ccc(OC)cc12
InChIInChI=1S/C20H21NO4S/c1-4-25-19(22)10-8-15-13(2)21(20(23)18-6-5-11-26-18)17-9-7-14(24-3)12-16(15)17/h5-7,9,11-12H,4,8,10H2,1-3H3
InChIKeyKUNAMGZULIWRQT-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.20
Rot. Bonds6

About ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate

ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate (PubChem CID 11417402) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate
PubChem CID11417402
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Nameethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate
SMILESCCOC(=O)CCc1c(C)n(C(=O)c2cccs2)c2ccc(OC)cc12
InChIInChI=1S/C20H21NO4S/c1-4-25-19(22)10-8-15-13(2)21(20(23)18-6-5-11-26-18)17-9-7-14(24-3)12-16(15)17/h5-7,9,11-12H,4,8,10H2,1-3H3
InChIKeyKUNAMGZULIWRQT-UHFFFAOYSA-N
XLogP4.20
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate?
The IUPAC name of ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate (CID 11417402) is ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate?
The canonical SMILES for ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate is CCOC(=O)CCc1c(C)n(C(=O)c2cccs2)c2ccc(OC)cc12.
What is the InChIKey of ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate?
The InChIKey is KUNAMGZULIWRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-4-25-19(22)10-8-15-13(2)21(20(23)18-6-5-11-26-18)17-9-7-14(24-3)12-16(15)17/h5-7,9,11-12H,4,8,10H2,1-3H3.
What are the key properties of ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate?
ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate has a molecular weight of 371.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate is sourced from PubChem (CID 11417402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).