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

C14H16N4O4S — CID 46972328

IUPAC1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3noc(C)n3)ccc21
InChIInChI=1S/C14H16N4O4S/c1-9-16-14(17-22-9)8-15-23(20,21)12-3-4-13-11(7-12)5-6-18(13)10(2)19/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyQWOLHFZABFPPAO-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.77
Rot. Bonds4

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

1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 46972328) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID46972328
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3noc(C)n3)ccc21
InChIInChI=1S/C14H16N4O4S/c1-9-16-14(17-22-9)8-15-23(20,21)12-3-4-13-11(7-12)5-6-18(13)10(2)19/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyQWOLHFZABFPPAO-UHFFFAOYSA-N
XLogP0.77
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-acetyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110714907
1-acetyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 47957175
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 106402227
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

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 46972328) is 1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCc3noc(C)n3)ccc21.
What is the InChIKey of 1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is QWOLHFZABFPPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-9-16-14(17-22-9)8-15-23(20,21)12-3-4-13-11(7-12)5-6-18(13)10(2)19/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of 1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 336.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 46972328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).