2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C20H21N3O4S — CID 15944802

IUPAC2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1c(C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1C
InChIInChI=1S/C20H21N3O4S/c1-13-18(16-5-3-4-6-17(16)23(13)2)19(24)20(25)22-12-11-14-7-9-15(10-8-14)28(21,26)27/h3-10H,11-12H2,1-2H3,(H,22,25)(H2,21,26,27)
InChIKeyHBTDKZANSFYOCP-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.68
Rot. Bonds6

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

2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 15944802) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID15944802
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1c(C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1C
InChIInChI=1S/C20H21N3O4S/c1-13-18(16-5-3-4-6-17(16)23(13)2)19(24)20(25)22-12-11-14-7-9-15(10-8-14)28(21,26)27/h3-10H,11-12H2,1-2H3,(H,22,25)(H2,21,26,27)
InChIKeyHBTDKZANSFYOCP-UHFFFAOYSA-N
XLogP1.68
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 15944802) is 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Cc1c(C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is HBTDKZANSFYOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-18(16-5-3-4-6-17(16)23(13)2)19(24)20(25)22-12-11-14-7-9-15(10-8-14)28(21,26)27/h3-10H,11-12H2,1-2H3,(H,22,25)(H2,21,26,27).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 399.47 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 15944802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).