N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide

C21H23N3O4S — CID 43055164

IUPACN-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(NC(=O)C4CC4)c3)cc2CC1C
InChIInChI=1S/C21H23N3O4S/c1-13-10-16-11-19(8-9-20(16)24(13)14(2)25)29(27,28)23-18-5-3-4-17(12-18)22-21(26)15-6-7-15/h3-5,8-9,11-13,15,23H,6-7,10H2,1-2H3,(H,22,26)
InChIKeyGJJLDAMDYVSSDR-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.13
Rot. Bonds5

About N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide

N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 43055164) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID43055164
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(NC(=O)C4CC4)c3)cc2CC1C
InChIInChI=1S/C21H23N3O4S/c1-13-10-16-11-19(8-9-20(16)24(13)14(2)25)29(27,28)23-18-5-3-4-17(12-18)22-21(26)15-6-7-15/h3-5,8-9,11-13,15,23H,6-7,10H2,1-2H3,(H,22,26)
InChIKeyGJJLDAMDYVSSDR-UHFFFAOYSA-N
XLogP3.13
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
1-(cyclopropanecarbonyl)-2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20901711
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261
(2R)-1-acetyl-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 51963359
dimethyl 5-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzene-1,3-dicarboxylate
CID 131842012
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide
CID 89426561
1-acetyl-2-methyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 121037080

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide (CID 43055164) is N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide is CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(NC(=O)C4CC4)c3)cc2CC1C.
What is the InChIKey of N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is GJJLDAMDYVSSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-13-10-16-11-19(8-9-20(16)24(13)14(2)25)29(27,28)23-18-5-3-4-17(12-18)22-21(26)15-6-7-15/h3-5,8-9,11-13,15,23H,6-7,10H2,1-2H3,(H,22,26).
What are the key properties of N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 43055164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).