2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C18H17N3O4S — CID 7117332

IUPAC2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4S/c19-26(24,25)13-7-5-12(6-8-13)9-10-20-18(23)17(22)15-11-21-16-4-2-1-3-14(15)16/h1-8,11,21H,9-10H2,(H,20,23)(H2,19,24,25)
InChIKeyDKSBJYZYRAPCLF-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.36
Rot. Bonds6

About 2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 7117332) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID7117332
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4S/c19-26(24,25)13-7-5-12(6-8-13)9-10-20-18(23)17(22)15-11-21-16-4-2-1-3-14(15)16/h1-8,11,21H,9-10H2,(H,20,23)(H2,19,24,25)
InChIKeyDKSBJYZYRAPCLF-UHFFFAOYSA-N
XLogP1.36
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 7117332) is 2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is DKSBJYZYRAPCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c19-26(24,25)13-7-5-12(6-8-13)9-10-20-18(23)17(22)15-11-21-16-4-2-1-3-14(15)16/h1-8,11,21H,9-10H2,(H,20,23)(H2,19,24,25).
What are the key properties of 2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 7117332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).