(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

C24H28F4N2O3S — CID 44816706

IUPAC(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
SMILESCC(NC(=O)[C@@H]1CC1(C)c1ccc(C(C)(C)C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H28F4N2O3S/c1-14(15-6-11-20(19(25)12-15)30-34(5,32)33)29-21(31)18-13-23(18,4)17-9-7-16(8-10-17)22(2,3)24(26,27)28/h6-12,14,18,30H,13H2,1-5H3,(H,29,31)/t14?,18-,23?/m0/s1
InChIKeyMSXKGMYKBKRVRP-SCTWRPTPSA-N
MW500.56 g/mol
LogP5.19
Rot. Bonds7

About (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

(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 (PubChem CID 44816706) has the molecular formula C24H28F4N2O3S and a molecular weight of 500.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID44816706
Molecular FormulaC24H28F4N2O3S
Molecular Weight500.56 g/mol
Exact Mass500.18
IUPAC Name(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
SMILESCC(NC(=O)[C@@H]1CC1(C)c1ccc(C(C)(C)C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C24H28F4N2O3S/c1-14(15-6-11-20(19(25)12-15)30-34(5,32)33)29-21(31)18-13-23(18,4)17-9-7-16(8-10-17)22(2,3)24(26,27)28/h6-12,14,18,30H,13H2,1-5H3,(H,29,31)/t14?,18-,23?/m0/s1
InChIKeyMSXKGMYKBKRVRP-SCTWRPTPSA-N
XLogP5.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(1R)-N-[1-[3-ethyl-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 11855167
(1R)-2-(4-tert-butyl-3,5-difluorophenyl)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]propyl]-2-methylcyclopropane-1-carboxamide
CID 11854134
N-[(1R)-1-[4-(ethoxyamino)-3-methylphenyl]ethyl]-2-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]cyclopropane-1-carboxamide
CID 143348407
N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 44603327
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 67438297
(Z)-N-[(1R)-1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 66856289
aminosulfanyl 2-(hydroxymethyl)-4-[(1R)-1-[[(1R,2R)-2-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]ethyl]benzoate
CID 88965237
N-[(4-tert-butylphenyl)methyl]-1-[3-fluoro-4-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 57401678
ethoxy-[2-methyl-4-[(1R)-1-[[2-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]cyclopropanecarbonyl]amino]ethyl]phenyl]azanium
CID 143348406
2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid
CID 59637288

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(NC(=O)[C@@H]1CC1(C)c1ccc(C(C)(C)C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of (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?
The InChIKey is MSXKGMYKBKRVRP-SCTWRPTPSA-N. The full InChI is InChI=1S/C24H28F4N2O3S/c1-14(15-6-11-20(19(25)12-15)30-34(5,32)33)29-21(31)18-13-23(18,4)17-9-7-16(8-10-17)22(2,3)24(26,27)28/h6-12,14,18,30H,13H2,1-5H3,(H,29,31)/t14?,18-,23?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 500.56 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 44816706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).