1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide

C16H19N3O4S — CID 110714907

IUPAC1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3oc(C)nc3C)ccc21
InChIInChI=1S/C16H19N3O4S/c1-10-16(23-11(2)18-10)9-17-24(21,22)14-4-5-15-13(8-14)6-7-19(15)12(3)20/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyMZBOMXIXZKZXIQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.68
Rot. Bonds4

About 1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 110714907) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID110714907
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3oc(C)nc3C)ccc21
InChIInChI=1S/C16H19N3O4S/c1-10-16(23-11(2)18-10)9-17-24(21,22)14-4-5-15-13(8-14)6-7-19(15)12(3)20/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyMZBOMXIXZKZXIQ-UHFFFAOYSA-N
XLogP1.68
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 46972328
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 47957175
1-acetyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 113081583
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110401180
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719
1-acetyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531392
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 110714907) is 1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCc3oc(C)nc3C)ccc21.
What is the InChIKey of 1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MZBOMXIXZKZXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-10-16(23-11(2)18-10)9-17-24(21,22)14-4-5-15-13(8-14)6-7-19(15)12(3)20/h4-5,8,17H,6-7,9H2,1-3H3.
What are the key properties of 1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110714907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).