N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C21H23N3O4S — CID 39058628

IUPACN-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C21H23N3O4S/c1-3-4-12-22-29(27,28)16-9-7-8-15(13-16)24-21(26)20(25)19-14(2)23-18-11-6-5-10-17(18)19/h5-11,13,22-23H,3-4,12H2,1-2H3,(H,24,26)
InChIKeyKCCWLHOJPPZDOC-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.38
Rot. Bonds8

About N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 39058628) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID39058628
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C21H23N3O4S/c1-3-4-12-22-29(27,28)16-9-7-8-15(13-16)24-21(26)20(25)19-14(2)23-18-11-6-5-10-17(18)19/h5-11,13,22-23H,3-4,12H2,1-2H3,(H,24,26)
InChIKeyKCCWLHOJPPZDOC-UHFFFAOYSA-N
XLogP3.38
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-phenoxyphenyl)acetamide
CID 44596683
N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 39058857
N-[3-(butylsulfamoyl)phenyl]isoquinoline-1-carboxamide
CID 47084317
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 39040258
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 38840945
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-1H-indole-3-carboxamide
CID 26720242
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide
CID 126830291
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
2-(2-methyl-1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide
CID 51119222
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
N-(9H-fluoren-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 5297197

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 39058628) is N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is KCCWLHOJPPZDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-3-4-12-22-29(27,28)16-9-7-8-15(13-16)24-21(26)20(25)19-14(2)23-18-11-6-5-10-17(18)19/h5-11,13,22-23H,3-4,12H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 413.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 39058628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).