N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide

C20H16F5N3O3S — CID 25008131

IUPACN-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCS(=O)(=O)Nc1c(F)cc(CCNC(=O)c2cnc3cc(C(F)(F)F)ccc3c2)cc1F
InChIInChI=1S/C20H16F5N3O3S/c1-32(30,31)28-18-15(21)6-11(7-16(18)22)4-5-26-19(29)13-8-12-2-3-14(20(23,24)25)9-17(12)27-10-13/h2-3,6-10,28H,4-5H2,1H3,(H,26,29)
InChIKeyZXSPKDJGRJHHKI-UHFFFAOYSA-N
MW473.42 g/mol
LogP3.88
Rot. Bonds6

About N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide

N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 25008131) has the molecular formula C20H16F5N3O3S and a molecular weight of 473.42 g/mol. Its IUPAC name is N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID25008131
Molecular FormulaC20H16F5N3O3S
Molecular Weight473.42 g/mol
Exact Mass473.08
IUPAC NameN-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCS(=O)(=O)Nc1c(F)cc(CCNC(=O)c2cnc3cc(C(F)(F)F)ccc3c2)cc1F
InChIInChI=1S/C20H16F5N3O3S/c1-32(30,31)28-18-15(21)6-11(7-16(18)22)4-5-26-19(29)13-8-12-2-3-14(20(23,24)25)9-17(12)27-10-13/h2-3,6-10,28H,4-5H2,1H3,(H,26,29)
InChIKeyZXSPKDJGRJHHKI-UHFFFAOYSA-N
XLogP3.88
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-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-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 67112020
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 68613745
N-butan-2-ylsulfanyl-7-(trifluoromethyl)quinoline-3-carboxamide
CID 87480063
2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 67111129
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-(propan-2-ylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 69043623
N-[2-(4-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110694769
3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176503834
N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 46235650
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489754
1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31337743
(Z)-N-[[3-fluoro-4-(methanesulfonamido)-5-methylphenyl]methyl]-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 66856202

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide (CID 25008131) is N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide is CS(=O)(=O)Nc1c(F)cc(CCNC(=O)c2cnc3cc(C(F)(F)F)ccc3c2)cc1F.
What is the InChIKey of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is ZXSPKDJGRJHHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N3O3S/c1-32(30,31)28-18-15(21)6-11(7-16(18)22)4-5-26-19(29)13-8-12-2-3-14(20(23,24)25)9-17(12)27-10-13/h2-3,6-10,28H,4-5H2,1H3,(H,26,29).
What are the key properties of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide?
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 473.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 25008131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).