3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide

C22H26N4O4S — CID 92687932

IUPAC3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESC[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3ccccn3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C22H26N4O4S/c1-15-12-17-13-19(7-8-20(17)26(15)22(28)16-5-6-16)31(29,30)25-11-9-21(27)24-14-18-4-2-3-10-23-18/h2-4,7-8,10,13,15-16,25H,5-6,9,11-12,14H2,1H3,(H,24,27)/t15-/m1/s1
InChIKeyPDEPHTJVXMEUJT-OAHLLOKOSA-N
MW442.54 g/mol
LogP1.75
Rot. Bonds8

About 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide

3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 92687932) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID92687932
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESC[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3ccccn3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C22H26N4O4S/c1-15-12-17-13-19(7-8-20(17)26(15)22(28)16-5-6-16)31(29,30)25-11-9-21(27)24-14-18-4-2-3-10-23-18/h2-4,7-8,10,13,15-16,25H,5-6,9,11-12,14H2,1H3,(H,24,27)/t15-/m1/s1
InChIKeyPDEPHTJVXMEUJT-OAHLLOKOSA-N
XLogP1.75
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92688041
N-cycloheptyl-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687952
N-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46274896
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methylphenyl)propanamide
CID 92688036
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92688011
N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687986
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92687907
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 92687837
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
1-acetyl-2-methyl-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 46972299
(2R)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593356
(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593354

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide (CID 92687932) is 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide is C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3ccccn3)ccc2N1C(=O)C1CC1.
What is the InChIKey of 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is PDEPHTJVXMEUJT-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-15-12-17-13-19(7-8-20(17)26(15)22(28)16-5-6-16)31(29,30)25-11-9-21(27)24-14-18-4-2-3-10-23-18/h2-4,7-8,10,13,15-16,25H,5-6,9,11-12,14H2,1H3,(H,24,27)/t15-/m1/s1.
What are the key properties of 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 442.54 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 92687932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).