N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide

C23H29FN2O3S — CID 33076663

IUPACN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)cc1
InChIInChI=1S/C23H29FN2O3S/c1-4-26(5-2)30(28,29)21-12-10-18(11-13-21)17(3)25-22(27)23(14-7-15-23)19-8-6-9-20(24)16-19/h6,8-13,16-17H,4-5,7,14-15H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyZQBDZIIZVPDCHW-KRWDZBQOSA-N
MW432.56 g/mol
LogP4.16
Rot. Bonds8

About N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide

N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 33076663) has the molecular formula C23H29FN2O3S and a molecular weight of 432.56 g/mol. Its IUPAC name is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID33076663
Molecular FormulaC23H29FN2O3S
Molecular Weight432.56 g/mol
Exact Mass432.19
IUPAC NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)cc1
InChIInChI=1S/C23H29FN2O3S/c1-4-26(5-2)30(28,29)21-12-10-18(11-13-21)17(3)25-22(27)23(14-7-15-23)19-8-6-9-20(24)16-19/h6,8-13,16-17H,4-5,7,14-15H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyZQBDZIIZVPDCHW-KRWDZBQOSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 55520759
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559295
1-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 52535105
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
CID 92582737
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 167918686
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 32752664
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119664783

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide (CID 33076663) is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide is CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCC2)cc1.
What is the InChIKey of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is ZQBDZIIZVPDCHW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29FN2O3S/c1-4-26(5-2)30(28,29)21-12-10-18(11-13-21)17(3)25-22(27)23(14-7-15-23)19-8-6-9-20(24)16-19/h6,8-13,16-17H,4-5,7,14-15H2,1-3H3,(H,25,27)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 432.56 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 33076663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).