N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide

C23H27N3O5S — CID 53025563

IUPACN-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O5S/c1-17-4-2-3-5-20(17)24-32(29,30)19-6-7-21-18(16-19)10-11-26(21)23(28)9-8-22(27)25-12-14-31-15-13-25/h2-7,16,24H,8-15H2,1H3
InChIKeyFQBABANKMIRTJI-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.32
Rot. Bonds6

About N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide

N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 53025563) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID53025563
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O5S/c1-17-4-2-3-5-20(17)24-32(29,30)19-6-7-21-18(16-19)10-11-26(21)23(28)9-8-22(27)25-12-14-31-15-13-25/h2-7,16,24H,8-15H2,1H3
InChIKeyFQBABANKMIRTJI-UHFFFAOYSA-N
XLogP2.32
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025546
N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53005009
N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025542
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-fluoro-4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 53025635
N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15995314
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(4-ethylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 53057564
4-[5-[(3-chloro-4-methylphenyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864322
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(2-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53057581
5-[(2,3-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058910
N-[(4-methylphenyl)methyl]-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025447
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 53025638

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide (CID 53025563) is N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCOCC1.
What is the InChIKey of N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FQBABANKMIRTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-17-4-2-3-5-20(17)24-32(29,30)19-6-7-21-18(16-19)10-11-26(21)23(28)9-8-22(27)25-12-14-31-15-13-25/h2-7,16,24H,8-15H2,1H3.
What are the key properties of N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 457.55 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 53025563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).