1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide

C19H19N3O5S — CID 46970401

IUPAC1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)ccc21
InChIInChI=1S/C19H19N3O5S/c1-12(23)22-8-7-13-9-15(4-5-16(13)22)28(25,26)20-14-3-6-18-17(10-14)21(2)19(24)11-27-18/h3-6,9-10,20H,7-8,11H2,1-2H3
InChIKeyGOGYQFRBEADCNO-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.75
Rot. Bonds3

About 1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 46970401) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID46970401
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)ccc21
InChIInChI=1S/C19H19N3O5S/c1-12(23)22-8-7-13-9-15(4-5-16(13)22)28(25,26)20-14-3-6-18-17(10-14)21(2)19(24)11-27-18/h3-6,9-10,20H,7-8,11H2,1-2H3
InChIKeyGOGYQFRBEADCNO-UHFFFAOYSA-N
XLogP1.75
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one
CID 66887314
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
1-acetyl-N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 110425311
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-propoxybenzenesulfonamide
CID 42388579
1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide
CID 166596719
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059032
1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide
CID 24510126
1-acetyl-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100516505

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide (CID 46970401) is 1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)ccc21.
What is the InChIKey of 1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is GOGYQFRBEADCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-12(23)22-8-7-13-9-15(4-5-16(13)22)28(25,26)20-14-3-6-18-17(10-14)21(2)19(24)11-27-18/h3-6,9-10,20H,7-8,11H2,1-2H3.
What are the key properties of 1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 401.44 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 46970401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).