4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide

C22H28N4O4S — CID 126458274

IUPAC4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3ccccn3)ccc21
InChIInChI=1S/C22H28N4O4S/c1-4-21(27)26-12-10-16-14-17(8-9-19(16)26)31(29,30)25-18(13-15(2)3)22(28)24-20-7-5-6-11-23-20/h5-9,11,14-15,18,25H,4,10,12-13H2,1-3H3,(H,23,24,28)
InChIKeyVNBFQJUJVCJZJZ-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.71
Rot. Bonds8

About 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide

4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide (PubChem CID 126458274) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide.

Molecular Properties

Compound Name4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide
PubChem CID126458274
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3ccccn3)ccc21
InChIInChI=1S/C22H28N4O4S/c1-4-21(27)26-12-10-16-14-17(8-9-19(16)26)31(29,30)25-18(13-15(2)3)22(28)24-20-7-5-6-11-23-20/h5-9,11,14-15,18,25H,4,10,12-13H2,1-3H3,(H,23,24,28)
InChIKeyVNBFQJUJVCJZJZ-UHFFFAOYSA-N
XLogP2.71
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 92661843
(2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 92661844
4-methyl-N-(1-phenylethyl)-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856615
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid
CID 4105190
N-(3,5-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856607
N-(3,4-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856596
N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 20856638
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-ethylphenyl)-4-methylpentanamide
CID 92661675
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
CID 92661618
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(1-phenylethyl)pentanamide
CID 122175087
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dimethylphenyl)-4-methylpentanamide
CID 15996337
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-4-methylpentanamide
CID 20856205

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide?
The IUPAC name of 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide (CID 126458274) is 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide.
What is the SMILES notation for 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide?
The canonical SMILES for 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide is CCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3ccccn3)ccc21.
What is the InChIKey of 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide?
The InChIKey is VNBFQJUJVCJZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-4-21(27)26-12-10-16-14-17(8-9-19(16)26)31(29,30)25-18(13-15(2)3)22(28)24-20-7-5-6-11-23-20/h5-9,11,14-15,18,25H,4,10,12-13H2,1-3H3,(H,23,24,28).
What are the key properties of 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide?
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide has a molecular weight of 444.56 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide is sourced from PubChem (CID 126458274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).