3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C20H19N3O4S — CID 4524824

IUPAC3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4CC3C)c2)no1
InChIInChI=1S/C20H19N3O4S/c1-13-10-15-6-3-4-9-18(15)23(13)28(25,26)17-8-5-7-16(12-17)20(24)21-19-11-14(2)27-22-19/h3-9,11-13H,10H2,1-2H3,(H,21,22,24)
InChIKeyHLLVYROQJHHDRR-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.38
Rot. Bonds4

About 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 4524824) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID4524824
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4CC3C)c2)no1
InChIInChI=1S/C20H19N3O4S/c1-13-10-15-6-3-4-9-18(15)23(13)28(25,26)17-8-5-7-16(12-17)20(24)21-19-11-14(2)27-22-19/h3-9,11-13H,10H2,1-2H3,(H,21,22,24)
InChIKeyHLLVYROQJHHDRR-UHFFFAOYSA-N
XLogP3.38
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2336693
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
CID 109062095
N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2349220
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide
CID 75852609
N'-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55455151
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide
CID 4175707
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 25383378
N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 41041573
N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 6596823
N-(1-hydroxybutan-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 2997709
3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 4524824) is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4CC3C)c2)no1.
What is the InChIKey of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is HLLVYROQJHHDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13-10-15-6-3-4-9-18(15)23(13)28(25,26)17-8-5-7-16(12-17)20(24)21-19-11-14(2)27-22-19/h3-9,11-13H,10H2,1-2H3,(H,21,22,24).
What are the key properties of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 4524824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).