(1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

C23H27F3N2O4S — CID 11855167

IUPAC(1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCCc1cc(C(C)NC(=O)[C@@H]2CC2(C)c2ccc(OC(F)(F)F)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C23H27F3N2O4S/c1-5-15-12-16(6-11-20(15)28-33(4,30)31)14(2)27-21(29)19-13-22(19,3)17-7-9-18(10-8-17)32-23(24,25)26/h6-12,14,19,28H,5,13H2,1-4H3,(H,27,29)/t14?,19-,22?/m0/s1
InChIKeyZHRNUYUZBNLFHS-AGGMIZPZSA-N
MW484.54 g/mol
LogP4.67
Rot. Bonds8

About (1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

(1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 11855167) has the molecular formula C23H27F3N2O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is (1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID11855167
Molecular FormulaC23H27F3N2O4S
Molecular Weight484.54 g/mol
Exact Mass484.16
IUPAC Name(1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCCc1cc(C(C)NC(=O)[C@@H]2CC2(C)c2ccc(OC(F)(F)F)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C23H27F3N2O4S/c1-5-15-12-16(6-11-20(15)28-33(4,30)31)14(2)27-21(29)19-13-22(19,3)17-7-9-18(10-8-17)32-23(24,25)26/h6-12,14,19,28H,5,13H2,1-4H3,(H,27,29)/t14?,19-,22?/m0/s1
InChIKeyZHRNUYUZBNLFHS-AGGMIZPZSA-N
XLogP4.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]cyclopropane-1-carboxamide
CID 44816706
aminosulfanyl 2-(hydroxymethyl)-4-[(1R)-1-[[(1R,2R)-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]ethyl]benzoate
CID 88965237
trans-(1S,2S)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 66555470
(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 11854133
N-[(1R)-1-[4-(ethoxyamino)-3-methylphenyl]ethyl]-2-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]cyclopropane-1-carboxamide
CID 143348407
(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]propyl]-2-methylcyclopropane-1-carboxamide
CID 11854134
ethoxy-[2-methyl-4-[(1R)-1-[[2-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]cyclopropanecarbonyl]amino]ethyl]phenyl]azanium
CID 143348406
(2S,5R)-5-(aminomethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-2-carboxamide
CID 120786152
trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 67290425
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 52516209
2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 52516208

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (CID 11855167) is (1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is CCc1cc(C(C)NC(=O)[C@@H]2CC2(C)c2ccc(OC(F)(F)F)cc2)ccc1NS(C)(=O)=O.
What is the InChIKey of (1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZHRNUYUZBNLFHS-AGGMIZPZSA-N. The full InChI is InChI=1S/C23H27F3N2O4S/c1-5-15-12-16(6-11-20(15)28-33(4,30)31)14(2)27-21(29)19-13-22(19,3)17-7-9-18(10-8-17)32-23(24,25)26/h6-12,14,19,28H,5,13H2,1-4H3,(H,27,29)/t14?,19-,22?/m0/s1.
What are the key properties of (1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
(1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 11855167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).