3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide

C22H27N3O4S — CID 92687837

IUPAC3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccc(C)cc3)cc2C[C@H]1C
InChIInChI=1S/C22H27N3O4S/c1-15-4-6-18(7-5-15)14-23-22(27)10-11-24-30(28,29)20-8-9-21-19(13-20)12-16(2)25(21)17(3)26/h4-9,13,16,24H,10-12,14H2,1-3H3,(H,23,27)/t16-/m1/s1
InChIKeyGRSBBHWDOMRUAF-MRXNPFEDSA-N
MW429.54 g/mol
LogP2.28
Rot. Bonds7

About 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide

3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 92687837) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID92687837
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccc(C)cc3)cc2C[C@H]1C
InChIInChI=1S/C22H27N3O4S/c1-15-4-6-18(7-5-15)14-23-22(27)10-11-24-30(28,29)20-8-9-21-19(13-20)12-16(2)25(21)17(3)26/h4-9,13,16,24H,10-12,14H2,1-3H3,(H,23,27)/t16-/m1/s1
InChIKeyGRSBBHWDOMRUAF-MRXNPFEDSA-N
XLogP2.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 92504991
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92687907
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 92687792
2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15993618
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-acetylphenyl)propanamide
CID 46274810
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 24791899
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methylphenyl)propanamide
CID 92688036
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 92687789
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide
CID 92687871
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (CID 92687837) is 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide is CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccc(C)cc3)cc2C[C@H]1C.
What is the InChIKey of 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is GRSBBHWDOMRUAF-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-4-6-18(7-5-15)14-23-22(27)10-11-24-30(28,29)20-8-9-21-19(13-20)12-16(2)25(21)17(3)26/h4-9,13,16,24H,10-12,14H2,1-3H3,(H,23,27)/t16-/m1/s1.
What are the key properties of 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 429.54 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 92687837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).