2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid

C16H20N2O5S — CID 167960329

IUPAC2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid
SMILESNS(=O)(=O)c1cc(C(=O)NC2CC(CC(=O)O)C2)cc2c1CCC2
InChIInChI=1S/C16H20N2O5S/c17-24(22,23)14-8-11(7-10-2-1-3-13(10)14)16(21)18-12-4-9(5-12)6-15(19)20/h7-9,12H,1-6H2,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyFLNCGRNFUQCLJP-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.81
Rot. Bonds5

About 2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid

2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 167960329) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID167960329
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid
SMILESNS(=O)(=O)c1cc(C(=O)NC2CC(CC(=O)O)C2)cc2c1CCC2
InChIInChI=1S/C16H20N2O5S/c17-24(22,23)14-8-11(7-10-2-1-3-13(10)14)16(21)18-12-4-9(5-12)6-15(19)20/h7-9,12H,1-6H2,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyFLNCGRNFUQCLJP-UHFFFAOYSA-N
XLogP0.81
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid
CID 75445970
3-(2,4-difluorophenyl)-3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]propanoic acid
CID 91647059
(2S)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid
CID 97259495
(2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid
CID 97259496
(3R)-3-(2,4-difluorophenyl)-3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]propanoic acid
CID 99781212
(3S)-3-(2,4-difluorophenyl)-3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]propanoic acid
CID 99781213
N-cyclopentyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 28084836
Methyl 6-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]hexanoate
CID 31840125
1-[3,4-Dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 45340338
(3R)-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 51519859
(3S)-1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 51519861
Methyl 5-[[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]amino]pentanoate
CID 56134449

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid (CID 167960329) is 2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid is NS(=O)(=O)c1cc(C(=O)NC2CC(CC(=O)O)C2)cc2c1CCC2.
What is the InChIKey of 2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is FLNCGRNFUQCLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c17-24(22,23)14-8-11(7-10-2-1-3-13(10)14)16(21)18-12-4-9(5-12)6-15(19)20/h7-9,12H,1-6H2,(H,18,21)(H,19,20)(H2,17,22,23).
What are the key properties of 2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid?
2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 352.41 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 167960329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).