N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide

C15H22N2O3S — CID 43134132

IUPACN-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide
SMILESCCc1cc(S(N)(=O)=O)cc(CC)c1NC(=O)C1CCC1
InChIInChI=1S/C15H22N2O3S/c1-3-10-8-13(21(16,19)20)9-11(4-2)14(10)17-15(18)12-6-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyAWCSKGPLYNZREQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.20
Rot. Bonds5

About N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide

N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide (PubChem CID 43134132) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide
PubChem CID43134132
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide
SMILESCCc1cc(S(N)(=O)=O)cc(CC)c1NC(=O)C1CCC1
InChIInChI=1S/C15H22N2O3S/c1-3-10-8-13(21(16,19)20)9-11(4-2)14(10)17-15(18)12-6-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyAWCSKGPLYNZREQ-UHFFFAOYSA-N
XLogP2.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methyl-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43246565
N-(2,6-dimethyl-4-sulfamoylphenyl)cyclohexanecarboxamide
CID 43134141
N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370
N-(2,6-dichloro-4-sulfamoylphenyl)cyclopentanecarboxamide
CID 43246828
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077
N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide
CID 61277687
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788
N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027123

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide (CID 43134132) is N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide is CCc1cc(S(N)(=O)=O)cc(CC)c1NC(=O)C1CCC1.
What is the InChIKey of N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide?
The InChIKey is AWCSKGPLYNZREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-10-8-13(21(16,19)20)9-11(4-2)14(10)17-15(18)12-6-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide?
N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethyl-4-sulfamoylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 43134132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).