2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid

C15H21NO4S — CID 167962572

IUPAC2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid
SMILESCCN(Cc1ccccc1C)S(=O)(=O)C1CCC1C(=O)O
InChIInChI=1S/C15H21NO4S/c1-3-16(10-12-7-5-4-6-11(12)2)21(19,20)14-9-8-13(14)15(17)18/h4-7,13-14H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyAHRYGFAWLGOXGC-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.01
Rot. Bonds6

About 2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid

2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid (PubChem CID 167962572) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid
PubChem CID167962572
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid
SMILESCCN(Cc1ccccc1C)S(=O)(=O)C1CCC1C(=O)O
InChIInChI=1S/C15H21NO4S/c1-3-16(10-12-7-5-4-6-11(12)2)21(19,20)14-9-8-13(14)15(17)18/h4-7,13-14H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyAHRYGFAWLGOXGC-UHFFFAOYSA-N
XLogP2.01
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]propanoic acid
CID 43588371
4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid
CID 43588369
N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150541
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342452
2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 79371567
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817499
cis-(1R,3S)-3-[2-hydroxyethyl-[(2-methylphenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 121494451
2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103343571
2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975956
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138741
4-[(2-methylphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66254196
N-[(2-aminophenyl)methyl]-N-ethylcyclopentanesulfonamide
CID 105360552

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid (CID 167962572) is 2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid is CCN(Cc1ccccc1C)S(=O)(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is AHRYGFAWLGOXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-16(10-12-7-5-4-6-11(12)2)21(19,20)14-9-8-13(14)15(17)18/h4-7,13-14H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid?
2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 311.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 167962572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).