N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide

C18H19N3O4S — CID 51219427

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C18H19N3O4S/c1-12(22)21-10-9-14-11-15(5-8-17(14)21)20-18(23)13-3-6-16(7-4-13)26(24,25)19-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,23)
InChIKeyPNIASKHKOLENRH-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.76
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide (PubChem CID 51219427) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
PubChem CID51219427
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C18H19N3O4S/c1-12(22)21-10-9-14-11-15(5-8-17(14)21)20-18(23)13-3-6-16(7-4-13)26(24,25)19-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,23)
InChIKeyPNIASKHKOLENRH-UHFFFAOYSA-N
XLogP1.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 39952143
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide
CID 42423988
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide
CID 39628262
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18132632
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076
2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 119254151
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 110425311
N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide
CID 166411880
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide (CID 51219427) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide?
The InChIKey is PNIASKHKOLENRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12(22)21-10-9-14-11-15(5-8-17(14)21)20-18(23)13-3-6-16(7-4-13)26(24,25)19-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide has a molecular weight of 373.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 51219427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).