1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid

C15H20N2O5S — CID 146136068

IUPAC1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)C2(C(=O)O)CCC2)c1
InChIInChI=1S/C15H20N2O5S/c1-10(17-13(18)15(14(19)20)7-4-8-15)11-5-3-6-12(9-11)23(21,22)16-2/h3,5-6,9-10,16H,4,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGOLAHYWORDQJFM-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.03
Rot. Bonds6

About 1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid

1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 146136068) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID146136068
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)C2(C(=O)O)CCC2)c1
InChIInChI=1S/C15H20N2O5S/c1-10(17-13(18)15(14(19)20)7-4-8-15)11-5-3-6-12(9-11)23(21,22)16-2/h3,5-6,9-10,16H,4,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGOLAHYWORDQJFM-UHFFFAOYSA-N
XLogP1.03
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
CID 95189601
N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930752
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119316352
1-(1-pyridin-3-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095230
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119316349
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119771237
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951139
4-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoylamino]butanoic acid
CID 122000391
1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 24595897
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119771212
N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119316345
methyl (2S)-2-[[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615830

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 146136068) is 1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid is CNS(=O)(=O)c1cccc(C(C)NC(=O)C2(C(=O)O)CCC2)c1.
What is the InChIKey of 1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is GOLAHYWORDQJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-10(17-13(18)15(14(19)20)7-4-8-15)11-5-3-6-12(9-11)23(21,22)16-2/h3,5-6,9-10,16H,4,7-8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 146136068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).