N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide

C22H27FN2O3S — CID 52559295

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2(c3cccc(F)c3)CCC2)ccc1C
InChIInChI=1S/C22H27FN2O3S/c1-4-25(5-2)29(27,28)20-15-19(11-10-16(20)3)24-21(26)22(12-7-13-22)17-8-6-9-18(23)14-17/h6,8-11,14-15H,4-5,7,12-13H2,1-3H3,(H,24,26)
InChIKeyMJSWZBZWIWJXGI-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.23
Rot. Bonds7

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 52559295) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID52559295
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2(c3cccc(F)c3)CCC2)ccc1C
InChIInChI=1S/C22H27FN2O3S/c1-4-25(5-2)29(27,28)20-15-19(11-10-16(20)3)24-21(26)22(12-7-13-22)17-8-6-9-18(23)14-17/h6,8-11,14-15H,4-5,7,12-13H2,1-3H3,(H,24,26)
InChIKeyMJSWZBZWIWJXGI-UHFFFAOYSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 26899763
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 33076663
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
CID 112781624
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 30837665
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide
CID 55996926
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 120917638
N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559237
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide
CID 60599109
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26759612

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide (CID 52559295) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2(c3cccc(F)c3)CCC2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is MJSWZBZWIWJXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-4-25(5-2)29(27,28)20-15-19(11-10-16(20)3)24-21(26)22(12-7-13-22)17-8-6-9-18(23)14-17/h6,8-11,14-15H,4-5,7,12-13H2,1-3H3,(H,24,26).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 52559295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).