N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide

C23H23F2N3O3S — CID 66978035

IUPACN-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc(C3(C)CC3)ccc2c1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H23F2N3O3S/c1-13(16-11-17(24)21(18(25)12-16)28-32(3,30)31)26-22(29)15-4-6-19-14(10-15)5-7-20(27-19)23(2)8-9-23/h4-7,10-13,28H,8-9H2,1-3H3,(H,26,29)/t13-/m1/s1
InChIKeyWJXHHQHPONKSIS-CYBMUJFWSA-N
MW459.52 g/mol
LogP4.43
Rot. Bonds6

About N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide

N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide (PubChem CID 66978035) has the molecular formula C23H23F2N3O3S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
PubChem CID66978035
Molecular FormulaC23H23F2N3O3S
Molecular Weight459.52 g/mol
Exact Mass459.14
IUPAC NameN-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc(C3(C)CC3)ccc2c1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H23F2N3O3S/c1-13(16-11-17(24)21(18(25)12-16)28-32(3,30)31)26-22(29)15-4-6-19-14(10-15)5-7-20(27-19)23(2)8-9-23/h4-7,10-13,28H,8-9H2,1-3H3,(H,26,29)/t13-/m1/s1
InChIKeyWJXHHQHPONKSIS-CYBMUJFWSA-N
XLogP4.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-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

N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-propan-2-ylquinoline-6-carboxamide
CID 74387260
2-cyclopropyl-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]quinoline-6-carboxamide
CID 74387381
N-[(1R)-1-(4-amino-2-fluoro-5-methylphenyl)ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
CID 143579748
N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-(trifluoromethyl)quinoline-6-carboxamide
CID 25008134
N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide
CID 66978096
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
CID 95153058
N-[1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-morpholin-4-ylquinoline-6-carboxamide
CID 66977995
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide
CID 67239219
trans-(1S,2S)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 66555470
N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 53281833
6-bromo-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2H-chromene-3-carboxamide
CID 75181389
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 67111279

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide?
The IUPAC name of N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide (CID 66978035) is N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide?
The canonical SMILES for N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide is C[C@@H](NC(=O)c1ccc2nc(C3(C)CC3)ccc2c1)c1cc(F)c(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide?
The InChIKey is WJXHHQHPONKSIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H23F2N3O3S/c1-13(16-11-17(24)21(18(25)12-16)28-32(3,30)31)26-22(29)15-4-6-19-14(10-15)5-7-20(27-19)23(2)8-9-23/h4-7,10-13,28H,8-9H2,1-3H3,(H,26,29)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide?
N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide is sourced from PubChem (CID 66978035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).