N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide

C20H24N2O4S — CID 4800134

IUPACN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCC2)c1
InChIInChI=1S/C20H24N2O4S/c1-3-22(16-10-5-4-6-11-16)27(24,25)17-12-13-19(26-2)18(14-17)21-20(23)15-8-7-9-15/h4-6,10-15H,3,7-9H2,1-2H3,(H,21,23)
InChIKeyKQIAEXDOMGVVCQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.65
Rot. Bonds7

About N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide (PubChem CID 4800134) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide
PubChem CID4800134
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCC2)c1
InChIInChI=1S/C20H24N2O4S/c1-3-22(16-10-5-4-6-11-16)27(24,25)17-12-13-19(26-2)18(14-17)21-20(23)15-8-7-9-15/h4-6,10-15H,3,7-9H2,1-2H3,(H,21,23)
InChIKeyKQIAEXDOMGVVCQ-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide (CID 4800134) is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCC2)c1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide?
The InChIKey is KQIAEXDOMGVVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-22(16-10-5-4-6-11-16)27(24,25)17-12-13-19(26-2)18(14-17)21-20(23)15-8-7-9-15/h4-6,10-15H,3,7-9H2,1-2H3,(H,21,23).
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide?
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide is sourced from PubChem (CID 4800134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).