N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide

C22H21N3O3S — CID 56553200

IUPACN-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C22H21N3O3S/c23-29(27,28)20-11-5-16(6-12-20)15-22(26)24-18-7-9-19(10-8-18)25-14-13-17-3-1-2-4-21(17)25/h1-12H,13-15H2,(H,24,26)(H2,23,27,28)
InChIKeyNGVGLDGZQAFMJX-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.21
Rot. Bonds5

About N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide

N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56553200) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56553200
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C22H21N3O3S/c23-29(27,28)20-11-5-16(6-12-20)15-22(26)24-18-7-9-19(10-8-18)25-14-13-17-3-1-2-4-21(17)25/h1-12H,13-15H2,(H,24,26)(H2,23,27,28)
InChIKeyNGVGLDGZQAFMJX-UHFFFAOYSA-N
XLogP3.21
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 112986190
N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 164615346
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide
CID 112986176
2-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 80723230
N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
CID 112986213
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
CID 23094842
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55882184
1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
CID 107079450
5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide
CID 55731282
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943972
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56545126

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide (CID 56553200) is N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is NGVGLDGZQAFMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c23-29(27,28)20-11-5-16(6-12-20)15-22(26)24-18-7-9-19(10-8-18)25-14-13-17-3-1-2-4-21(17)25/h1-12H,13-15H2,(H,24,26)(H2,23,27,28).
What are the key properties of N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide?
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 407.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56553200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).