2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide

C22H28N4O4S — CID 3244707

IUPAC2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3cc(C)ccn3)ccc21
InChIInChI=1S/C22H28N4O4S/c1-14(2)11-19(22(28)24-21-12-15(3)7-9-23-21)25-31(29,30)18-5-6-20-17(13-18)8-10-26(20)16(4)27/h5-7,9,12-14,19,25H,8,10-11H2,1-4H3,(H,23,24,28)
InChIKeyGPNCCNBMWFDHOV-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.63
Rot. Bonds7

About 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide (PubChem CID 3244707) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide
PubChem CID3244707
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3cc(C)ccn3)ccc21
InChIInChI=1S/C22H28N4O4S/c1-14(2)11-19(22(28)24-21-12-15(3)7-9-23-21)25-31(29,30)18-5-6-20-17(13-18)8-10-26(20)16(4)27/h5-7,9,12-14,19,25H,8,10-11H2,1-4H3,(H,23,24,28)
InChIKeyGPNCCNBMWFDHOV-UHFFFAOYSA-N
XLogP2.63
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide?
The IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide (CID 3244707) is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide.
What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide?
The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide is CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3cc(C)ccn3)ccc21.
What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide?
The InChIKey is GPNCCNBMWFDHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-14(2)11-19(22(28)24-21-12-15(3)7-9-23-21)25-31(29,30)18-5-6-20-17(13-18)8-10-26(20)16(4)27/h5-7,9,12-14,19,25H,8,10-11H2,1-4H3,(H,23,24,28).
What are the key properties of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide?
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide has a molecular weight of 444.56 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(4-methyl-2-pyridinyl)pentanamide is sourced from PubChem (CID 3244707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).