1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide

C26H24F4N2O4S — CID 90384135

IUPAC1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide
SMILESCCN(C1(C(=O)NCc2cccc(-c3ccc(OC(F)(F)F)cc3)c2)CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H24F4N2O4S/c1-2-32(37(34,35)23-12-8-21(27)9-13-23)25(14-15-25)24(33)31-17-18-4-3-5-20(16-18)19-6-10-22(11-7-19)36-26(28,29)30/h3-13,16H,2,14-15,17H2,1H3,(H,31,33)
InChIKeyZPZAOSGIKPCUPO-UHFFFAOYSA-N
MW536.55 g/mol
LogP5.25
Rot. Bonds9

About 1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide

1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 90384135) has the molecular formula C26H24F4N2O4S and a molecular weight of 536.55 g/mol. Its IUPAC name is 1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID90384135
Molecular FormulaC26H24F4N2O4S
Molecular Weight536.55 g/mol
Exact Mass536.14
IUPAC Name1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide
SMILESCCN(C1(C(=O)NCc2cccc(-c3ccc(OC(F)(F)F)cc3)c2)CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H24F4N2O4S/c1-2-32(37(34,35)23-12-8-21(27)9-13-23)25(14-15-25)24(33)31-17-18-4-3-5-20(16-18)19-6-10-22(11-7-19)36-26(28,29)30/h3-13,16H,2,14-15,17H2,1H3,(H,31,33)
InChIKeyZPZAOSGIKPCUPO-UHFFFAOYSA-N
XLogP5.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.55
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-fluorophenyl)prop-2-enylsulfonyl-methylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 174775091
1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 90390389
1-[butyl-(4-chlorophenyl)sulfonylamino]-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 142769065
1-[3-(4-fluorophenyl)prop-2-enylsulfonyl-methylamino]-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 174775094
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]but-2-enamide
CID 123810355
1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[2-(5-propoxypent-2-en-2-yl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 123319130
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
CID 24584151
4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 157231750
1-(4-fluorophenyl)sulfonyl-N-[[3-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 75298437
2-[(4-fluorophenyl)sulfonylamino]-3-methoxy-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]propanamide
CID 118222699
2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl-[[3-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]methyl]amino]acetic acid
CID 53357792
1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 122695955

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide (CID 90384135) is 1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide is CCN(C1(C(=O)NCc2cccc(-c3ccc(OC(F)(F)F)cc3)c2)CC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is ZPZAOSGIKPCUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N2O4S/c1-2-32(37(34,35)23-12-8-21(27)9-13-23)25(14-15-25)24(33)31-17-18-4-3-5-20(16-18)19-6-10-22(11-7-19)36-26(28,29)30/h3-13,16H,2,14-15,17H2,1H3,(H,31,33).
What are the key properties of 1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide?
1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 536.55 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90384135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).