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

C21H24ClN3O4S — CID 24791899

IUPAC3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)c(Cl)c3)cc2CC1C
InChIInChI=1S/C21H24ClN3O4S/c1-13-4-5-17(12-19(13)22)24-21(27)8-9-23-30(28,29)18-6-7-20-16(11-18)10-14(2)25(20)15(3)26/h4-7,11-12,14,23H,8-10H2,1-3H3,(H,24,27)
InChIKeyDFECOUYXWTVGHT-UHFFFAOYSA-N
MW449.96 g/mol
LogP3.25
Rot. Bonds6

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

3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 24791899) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID24791899
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Name3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)c(Cl)c3)cc2CC1C
InChIInChI=1S/C21H24ClN3O4S/c1-13-4-5-17(12-19(13)22)24-21(27)8-9-23-30(28,29)18-6-7-20-16(11-18)10-14(2)25(20)15(3)26/h4-7,11-12,14,23H,8-10H2,1-3H3,(H,24,27)
InChIKeyDFECOUYXWTVGHT-UHFFFAOYSA-N
XLogP3.25
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 46274855
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-acetylphenyl)propanamide
CID 46274810
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide
CID 92687871
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-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 92687783
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 92687784
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 92687837
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide (CID 24791899) is 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide is CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(C)c(Cl)c3)cc2CC1C.
What is the InChIKey of 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is DFECOUYXWTVGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-13-4-5-17(12-19(13)22)24-21(27)8-9-23-30(28,29)18-6-7-20-16(11-18)10-14(2)25(20)15(3)26/h4-7,11-12,14,23H,8-10H2,1-3H3,(H,24,27).
What are the key properties of 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide?
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 449.96 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 24791899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).