N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide

C19H19N3O4S — CID 166411880

IUPACN-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-18(23)21-15-6-4-13(5-7-15)19(24)22-11-10-14-12-16(8-9-17(14)22)27(25,26)20-2/h3-9,12,20H,1,10-11H2,2H3,(H,21,23)
InChIKeyIZVAITWKCPEBHD-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.92
Rot. Bonds5

About N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide

N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 166411880) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide
PubChem CID166411880
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-18(23)21-15-6-4-13(5-7-15)19(24)22-11-10-14-12-16(8-9-17(14)22)27(25,26)20-2/h3-9,12,20H,1,10-11H2,2H3,(H,21,23)
InChIKeyIZVAITWKCPEBHD-UHFFFAOYSA-N
XLogP1.92
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
CID 51219427
1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 119305331
1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 51098284
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
N-tert-butyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248086
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248022
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248111
1-(6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carbonyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 46968266

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide (CID 166411880) is N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)cc1.
What is the InChIKey of N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide?
The InChIKey is IZVAITWKCPEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-18(23)21-15-6-4-13(5-7-15)19(24)22-11-10-14-12-16(8-9-17(14)22)27(25,26)20-2/h3-9,12,20H,1,10-11H2,2H3,(H,21,23).
What are the key properties of N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide?
N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 385.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166411880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).