1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide

C19H23N3O4S — CID 71873940

IUPAC1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCCc1c(C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H23N3O4S/c1-5-15-17(12(3)23)11(2)21-18(15)19(24)22-9-8-13-6-7-14(10-16(13)22)27(25,26)20-4/h6-7,10,20-21H,5,8-9H2,1-4H3
InChIKeyNOXKWXNSUVKWMY-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.20
Rot. Bonds5

About 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide

1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 71873940) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID71873940
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCCc1c(C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H23N3O4S/c1-5-15-17(12(3)23)11(2)21-18(15)19(24)22-9-8-13-6-7-14(10-16(13)22)27(25,26)20-4/h6-7,10,20-21H,5,8-9H2,1-4H3
InChIKeyNOXKWXNSUVKWMY-UHFFFAOYSA-N
XLogP2.20
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide with MolForge

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Related Compounds

1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 86873025
1-[2,4-dimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 37163175
1-(6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carbonyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 46968266
1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119334262
1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 167752448
4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673855
1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 119334261
1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 20858592
N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119939803
1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 119561742
N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120635833
1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
CID 122141660

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide (CID 71873940) is 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide is CCc1c(C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)[nH]c(C)c1C(C)=O.
What is the InChIKey of 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is NOXKWXNSUVKWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-5-15-17(12(3)23)11(2)21-18(15)19(24)22-9-8-13-6-7-14(10-16(13)22)27(25,26)20-4/h6-7,10,20-21H,5,8-9H2,1-4H3.
What are the key properties of 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 71873940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).