1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

C24H30N2O5S — CID 20911711

IUPAC1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CCC2)c1
InChIInChI=1S/C24H30N2O5S/c1-4-30-19-9-12-23(31-5-2)21(15-19)25-32(28,29)20-10-11-22-18(14-20)13-16(3)26(22)24(27)17-7-6-8-17/h9-12,14-17,25H,4-8,13H2,1-3H3
InChIKeyFUEPSRQAWUHBOB-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.36
Rot. Bonds8

About 1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 20911711) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID20911711
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Name1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CCC2)c1
InChIInChI=1S/C24H30N2O5S/c1-4-30-19-9-12-23(31-5-2)21(15-19)25-32(28,29)20-10-11-22-18(14-20)13-16(3)26(22)24(27)17-7-6-8-17/h9-12,14-17,25H,4-8,13H2,1-3H3
InChIKeyFUEPSRQAWUHBOB-UHFFFAOYSA-N
XLogP4.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15996803
1-(cyclobutanecarbonyl)-N-(2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911710
1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,5-diethoxyphenyl)piperidine-4-carboxamide
CID 98276410
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911656
1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911661
1-[[(2R)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 92906308
N-cycloheptyl-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687952
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 133163493
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 133163367
[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 125049827
1-(cyclopropanecarbonyl)-2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20901711
5-bromo-1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505036

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 20911711) is 1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CCC2)c1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FUEPSRQAWUHBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-4-30-19-9-12-23(31-5-2)21(15-19)25-32(28,29)20-10-11-22-18(14-20)13-16(3)26(22)24(27)17-7-6-8-17/h9-12,14-17,25H,4-8,13H2,1-3H3.
What are the key properties of 1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 458.58 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20911711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).