1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide

C20H21F3N2O3S — CID 53110671

IUPAC1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C2(C(=O)NCc3ccc(C(F)(F)F)cc3)CCC2)cc1
InChIInChI=1S/C20H21F3N2O3S/c1-29(27,28)25-17-9-7-15(8-10-17)19(11-2-12-19)18(26)24-13-14-3-5-16(6-4-14)20(21,22)23/h3-10,25H,2,11-13H2,1H3,(H,24,26)
InChIKeyJYZBBUARCLHXOK-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.82
Rot. Bonds6

About 1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide

1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide (PubChem CID 53110671) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
PubChem CID53110671
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC Name1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C2(C(=O)NCc3ccc(C(F)(F)F)cc3)CCC2)cc1
InChIInChI=1S/C20H21F3N2O3S/c1-29(27,28)25-17-9-7-15(8-10-17)19(11-2-12-19)18(26)24-13-14-3-5-16(6-4-14)20(21,22)23/h3-10,25H,2,11-13H2,1H3,(H,24,26)
InChIKeyJYZBBUARCLHXOK-UHFFFAOYSA-N
XLogP3.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110672
N-[(2-fluorophenyl)methyl]-1-[4-(methanesulfonamido)phenyl]cyclobutane-1-carboxamide
CID 53110667
N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110526
1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827021
N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 57401678
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
CID 50827100
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 47720644
1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 53110497
1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110686
N-benzyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061872
N-benzyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061887

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide (CID 53110671) is 1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide is CS(=O)(=O)Nc1ccc(C2(C(=O)NCc3ccc(C(F)(F)F)cc3)CCC2)cc1.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is JYZBBUARCLHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c1-29(27,28)25-17-9-7-15(8-10-17)19(11-2-12-19)18(26)24-13-14-3-5-16(6-4-14)20(21,22)23/h3-10,25H,2,11-13H2,1H3,(H,24,26).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide?
1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 53110671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).