N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C25H24N2O5S — CID 29410978

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1cccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C25H24N2O5S/c1-18-5-4-7-20(15-18)27(17-25(28)26-12-11-19-6-2-3-8-22(19)26)33(29,30)21-9-10-23-24(16-21)32-14-13-31-23/h2-10,15-16H,11-14,17H2,1H3
InChIKeyKPBLAGNVMRTLQU-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.55
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 29410978) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID29410978
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1cccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C25H24N2O5S/c1-18-5-4-7-20(15-18)27(17-25(28)26-12-11-19-6-2-3-8-22(19)26)33(29,30)21-9-10-23-24(16-21)32-14-13-31-23/h2-10,15-16H,11-14,17H2,1H3
InChIKeyKPBLAGNVMRTLQU-UHFFFAOYSA-N
XLogP3.55
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2357612
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methylanilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47004237
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2412874
N-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30269535
1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 52561459
1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892289
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 4848561
4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 30273158
2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide
CID 19260298
N-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43900271
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30266058
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 2708586

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 29410978) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1cccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is KPBLAGNVMRTLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-18-5-4-7-20(15-18)27(17-25(28)26-12-11-19-6-2-3-8-22(19)26)33(29,30)21-9-10-23-24(16-21)32-14-13-31-23/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 464.54 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 29410978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).