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

C23H27N3O6S — CID 53025542

IUPACN-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H27N3O6S/c1-31-19-4-2-18(3-5-19)24-33(29,30)20-6-7-21-17(16-20)10-11-26(21)23(28)9-8-22(27)25-12-14-32-15-13-25/h2-7,16,24H,8-15H2,1H3
InChIKeyNBRPQXFDBUFJKQ-UHFFFAOYSA-N
MW473.55 g/mol
LogP2.02
Rot. Bonds7

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

N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 53025542) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID53025542
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC NameN-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H27N3O6S/c1-31-19-4-2-18(3-5-19)24-33(29,30)20-6-7-21-17(16-20)10-11-26(21)23(28)9-8-22(27)25-12-14-32-15-13-25/h2-7,16,24H,8-15H2,1H3
InChIKeyNBRPQXFDBUFJKQ-UHFFFAOYSA-N
XLogP2.02
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53005009
N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025563
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(4-ethylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 53057564
N-(5-chloro-2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025546
5-[(4-methoxyphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53058967
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-fluoro-4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 53025635
N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025463
4-[5-[(3-chloro-4-methylphenyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864322
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
N-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53080466
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 53025638
N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025513

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide (CID 53025542) is N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is NBRPQXFDBUFJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-31-19-4-2-18(3-5-19)24-33(29,30)20-6-7-21-17(16-20)10-11-26(21)23(28)9-8-22(27)25-12-14-32-15-13-25/h2-7,16,24H,8-15H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 473.55 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 53025542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).