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

C20H24N4O4S — CID 24793330

IUPAC3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)cn3)cc2CC1C
InChIInChI=1S/C20H24N4O4S/c1-13-4-7-19(21-12-13)23-20(26)8-9-22-29(27,28)17-5-6-18-16(11-17)10-14(2)24(18)15(3)25/h4-7,11-12,14,22H,8-10H2,1-3H3,(H,21,23,26)
InChIKeyXYBKWYFIVKARML-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.99
Rot. Bonds6

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

3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 24793330) 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-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID24793330
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)cn3)cc2CC1C
InChIInChI=1S/C20H24N4O4S/c1-13-4-7-19(21-12-13)23-20(26)8-9-22-29(27,28)17-5-6-18-16(11-17)10-14(2)24(18)15(3)25/h4-7,11-12,14,22H,8-10H2,1-3H3,(H,21,23,26)
InChIKeyXYBKWYFIVKARML-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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Related Compounds

N-methyl-4-[[7'-[(1S,2S)-2-methylcyclopentyl]-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl]amino]benzenesulfonamide
CID 155409796
3-[(4-acetamidophenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide
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N-[4-[benzyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide
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(2S)-N-[(2S)-1-[(2S)-2-(benzenesulfonamidomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 73777109
5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione
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1-acetyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
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N~2~-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N~1~-(4-methylpyridin-2-yl)leucinamide
CID 3244707
N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]acetamide
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3-[4-(Azepan-1-ylsulfonyl)anilino]-2-(2-pyridyl)isoindolin-1-one
CID 9550095
N,N-Diethyl-4-{[2-(5-methylpyridin-2-YL)-3-oxo-2,3-dihydro-1H-isoindol-1-YL]amino}benzene-1-sulfonamide
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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-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide (CID 24793330) is 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide is CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)cn3)cc2CC1C.
What is the InChIKey of 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is XYBKWYFIVKARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-13-4-7-19(21-12-13)23-20(26)8-9-22-29(27,28)17-5-6-18-16(11-17)10-14(2)24(18)15(3)25/h4-7,11-12,14,22H,8-10H2,1-3H3,(H,21,23,26).
What are the key properties of 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide?
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(5-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-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 24793330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).