3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide

C20H24N4O4S — CID 24791914

IUPAC3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ncccc3C)cc2CC1C
InChIInChI=1S/C20H24N4O4S/c1-13-5-4-9-21-20(13)23-19(26)8-10-22-29(27,28)17-6-7-18-16(12-17)11-14(2)24(18)15(3)25/h4-7,9,12,14,22H,8,10-11H2,1-3H3,(H,21,23,26)
InChIKeyOEDVHUMKQHWCAX-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.99
Rot. Bonds6

About 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide

3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 24791914) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide
PubChem CID24791914
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ncccc3C)cc2CC1C
InChIInChI=1S/C20H24N4O4S/c1-13-5-4-9-21-20(13)23-19(26)8-10-22-29(27,28)17-6-7-18-16(12-17)11-14(2)24(18)15(3)25/h4-7,9,12,14,22H,8,10-11H2,1-3H3,(H,21,23,26)
InChIKeyOEDVHUMKQHWCAX-UHFFFAOYSA-N
XLogP1.99
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide (CID 24791914) is 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide is CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ncccc3C)cc2CC1C.
What is the InChIKey of 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide?
The InChIKey is OEDVHUMKQHWCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-13-5-4-9-21-20(13)23-19(26)8-10-22-29(27,28)17-6-7-18-16(12-17)11-14(2)24(18)15(3)25/h4-7,9,12,14,22H,8,10-11H2,1-3H3,(H,21,23,26).
What are the key properties of 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide?
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 416.50 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 24791914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).