N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide

C13H18N2O4S — CID 43134013

IUPACN-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
SMILESCCOc1ccc(NC(=O)C2CCC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-2-19-11-7-6-10(8-12(11)20(14,17)18)15-13(16)9-4-3-5-9/h6-9H,2-5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyWDNOXSKXBGLOFH-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.47
Rot. Bonds5

About N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide

N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide (PubChem CID 43134013) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
PubChem CID43134013
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
SMILESCCOc1ccc(NC(=O)C2CCC2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-2-19-11-7-6-10(8-12(11)20(14,17)18)15-13(16)9-4-3-5-9/h6-9H,2-5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyWDNOXSKXBGLOFH-UHFFFAOYSA-N
XLogP1.47
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-(4-ethoxy-3-sulfamoylphenyl)propanamide
CID 43134014
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 25335431
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305
N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide
CID 61381356
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide
CID 3546890
N-[3-(bromomethyl)-4-ethoxyphenyl]cyclohexanecarboxamide
CID 114313578
1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 55683607
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide (CID 43134013) is N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide is CCOc1ccc(NC(=O)C2CCC2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide?
The InChIKey is WDNOXSKXBGLOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-2-19-11-7-6-10(8-12(11)20(14,17)18)15-13(16)9-4-3-5-9/h6-9H,2-5H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide?
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 43134013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).