[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate

C23H24N2O6S — CID 2689721

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H24N2O6S/c1-15-7-8-17(32(28,29)25-9-11-30-12-10-25)13-19(15)23(27)31-14-21(26)22-16(2)24-20-6-4-3-5-18(20)22/h3-8,13,24H,9-12,14H2,1-2H3
InChIKeyPTTOJAFKSHHUMR-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.85
Rot. Bonds6

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2689721) has the molecular formula C23H24N2O6S and a molecular weight of 456.52 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2689721
Molecular FormulaC23H24N2O6S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H24N2O6S/c1-15-7-8-17(32(28,29)25-9-11-30-12-10-25)13-19(15)23(27)31-14-21(26)22-16(2)24-20-6-4-3-5-18(20)22/h3-8,13,24H,9-12,14H2,1-2H3
InChIKeyPTTOJAFKSHHUMR-UHFFFAOYSA-N
XLogP2.85
TPSA105.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxy-2-oxoethyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
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[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16959011
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[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
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phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722
(4-bromophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2715867
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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate (CID 2689721) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is PTTOJAFKSHHUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S/c1-15-7-8-17(32(28,29)25-9-11-30-12-10-25)13-19(15)23(27)31-14-21(26)22-16(2)24-20-6-4-3-5-18(20)22/h3-8,13,24H,9-12,14H2,1-2H3.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 456.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2689721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).