3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide

C21H23BrN2O4S — CID 15987966

IUPAC3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide
SMILESCCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3ccccc3C)c21
InChIInChI=1S/C21H23BrN2O4S/c1-3-20(26)24-10-8-15-12-16(22)13-18(21(15)24)29(27,28)11-9-19(25)23-17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyYLOXXVOIBZLLNT-UHFFFAOYSA-N
MW479.40 g/mol
LogP3.86
Rot. Bonds6

About 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide (PubChem CID 15987966) has the molecular formula C21H23BrN2O4S and a molecular weight of 479.40 g/mol. Its IUPAC name is 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide
PubChem CID15987966
Molecular FormulaC21H23BrN2O4S
Molecular Weight479.40 g/mol
Exact Mass478.06
IUPAC Name3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide
SMILESCCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3ccccc3C)c21
InChIInChI=1S/C21H23BrN2O4S/c1-3-20(26)24-10-8-15-12-16(22)13-18(21(15)24)29(27,28)11-9-19(25)23-17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25)
InChIKeyYLOXXVOIBZLLNT-UHFFFAOYSA-N
XLogP3.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 4305243
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3326941
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 98186397
(3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 94850569
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide
CID 46506114
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(4-methoxyphenyl)propanamide
CID 15993238
5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 4290748
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide
CID 4247906
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 15995295
N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112536363
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 15994267

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide (CID 15987966) is 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide is CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3ccccc3C)c21.
What is the InChIKey of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide?
The InChIKey is YLOXXVOIBZLLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O4S/c1-3-20(26)24-10-8-15-12-16(22)13-18(21(15)24)29(27,28)11-9-19(25)23-17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25).
What are the key properties of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide?
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide has a molecular weight of 479.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 15987966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).