N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide

C20H23N3O3S — CID 60504798

IUPACN-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C20H23N3O3S/c21-27(25,26)17-7-8-18-15(13-17)9-12-23(18)14-19(24)22-20(10-4-11-20)16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2,(H,22,24)(H2,21,25,26)
InChIKeyLLEQRVXFGVQSPX-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.89
Rot. Bonds5

About N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide

N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 60504798) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID60504798
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C20H23N3O3S/c21-27(25,26)17-7-8-18-15(13-17)9-12-23(18)14-19(24)22-20(10-4-11-20)16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2,(H,22,24)(H2,21,25,26)
InChIKeyLLEQRVXFGVQSPX-UHFFFAOYSA-N
XLogP1.89
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide (CID 60504798) is N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide is NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC1(c2ccccc2)CCC1.
What is the InChIKey of N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is LLEQRVXFGVQSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c21-27(25,26)17-7-8-18-15(13-17)9-12-23(18)14-19(24)22-20(10-4-11-20)16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2,(H,22,24)(H2,21,25,26).
What are the key properties of N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 385.49 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 60504798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).