propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate

C24H29NO7S — CID 159151651

IUPACpropan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate
SMILESCCOc1cc(C(CS(C)(=O)=O)N2C(=O)Cc3ccc(C(=O)OC(C)C)cc32)ccc1OC
InChIInChI=1S/C24H29NO7S/c1-6-31-22-12-16(9-10-21(22)30-4)20(14-33(5,28)29)25-19-11-18(24(27)32-15(2)3)8-7-17(19)13-23(25)26/h7-12,15,20H,6,13-14H2,1-5H3
InChIKeyLLYNFTCYJCOGMX-UHFFFAOYSA-N
MW475.56 g/mol
LogP3.33
Rot. Bonds9

About propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate

propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate (PubChem CID 159151651) has the molecular formula C24H29NO7S and a molecular weight of 475.56 g/mol. Its IUPAC name is propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate
PubChem CID159151651
Molecular FormulaC24H29NO7S
Molecular Weight475.56 g/mol
Exact Mass475.17
IUPAC Namepropan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate
SMILESCCOc1cc(C(CS(C)(=O)=O)N2C(=O)Cc3ccc(C(=O)OC(C)C)cc32)ccc1OC
InChIInChI=1S/C24H29NO7S/c1-6-31-22-12-16(9-10-21(22)30-4)20(14-33(5,28)29)25-19-11-18(24(27)32-15(2)3)8-7-17(19)13-23(25)26/h7-12,15,20H,6,13-14H2,1-5H3
InChIKeyLLYNFTCYJCOGMX-UHFFFAOYSA-N
XLogP3.33
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate?
The IUPAC name of propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate (CID 159151651) is propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate.
What is the SMILES notation for propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate?
The canonical SMILES for propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate is CCOc1cc(C(CS(C)(=O)=O)N2C(=O)Cc3ccc(C(=O)OC(C)C)cc32)ccc1OC.
What is the InChIKey of propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate?
The InChIKey is LLYNFTCYJCOGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO7S/c1-6-31-22-12-16(9-10-21(22)30-4)20(14-33(5,28)29)25-19-11-18(24(27)32-15(2)3)8-7-17(19)13-23(25)26/h7-12,15,20H,6,13-14H2,1-5H3.
What are the key properties of propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate?
propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate has a molecular weight of 475.56 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-2-oxo-3H-indole-6-carboxylate is sourced from PubChem (CID 159151651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).