3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid

C16H20N2O5S — CID 167811477

IUPAC3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1CC(NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)(C(=O)O)C1
InChIInChI=1S/C16H20N2O5S/c1-9-7-16(8-9,15(20)21)18-14(19)11-5-10-3-2-4-12(10)13(6-11)24(17,22)23/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyLBQGWUZHEJAMEK-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.81
Rot. Bonds4

About 3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid

3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 167811477) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID167811477
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1CC(NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)(C(=O)O)C1
InChIInChI=1S/C16H20N2O5S/c1-9-7-16(8-9,15(20)21)18-14(19)11-5-10-3-2-4-12(10)13(6-11)24(17,22)23/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyLBQGWUZHEJAMEK-UHFFFAOYSA-N
XLogP0.81
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 167811477) is 3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid is CC1CC(NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is LBQGWUZHEJAMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-9-7-16(8-9,15(20)21)18-14(19)11-5-10-3-2-4-12(10)13(6-11)24(17,22)23/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23).
What are the key properties of 3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 352.41 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 167811477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).