N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C20H16F5N3O3S2 — CID 67112020

IUPACN-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCS(=O)(=O)Nc1c(F)cc(CCNC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1F
InChIInChI=1S/C20H16F5N3O3S2/c1-33(30,31)28-17-14(21)7-11(8-15(17)22)5-6-26-18(29)16-10-32-19(27-16)12-3-2-4-13(9-12)20(23,24)25/h2-4,7-10,28H,5-6H2,1H3,(H,26,29)
InChIKeyBNVDONCAXYMUBN-UHFFFAOYSA-N
MW505.49 g/mol
LogP4.45
Rot. Bonds7

About N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 67112020) has the molecular formula C20H16F5N3O3S2 and a molecular weight of 505.49 g/mol. Its IUPAC name is N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID67112020
Molecular FormulaC20H16F5N3O3S2
Molecular Weight505.49 g/mol
Exact Mass505.06
IUPAC NameN-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCS(=O)(=O)Nc1c(F)cc(CCNC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1F
InChIInChI=1S/C20H16F5N3O3S2/c1-33(30,31)28-17-14(21)7-11(8-15(17)22)5-6-26-18(29)16-10-32-19(27-16)12-3-2-4-13(9-12)20(23,24)25/h2-4,7-10,28H,5-6H2,1H3,(H,26,29)
InChIKeyBNVDONCAXYMUBN-UHFFFAOYSA-N
XLogP4.45
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119408105
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 139948557
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide
CID 25008131
N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110000611
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120651476
2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 67111129
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119448321
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119537157
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46065628
3-[methyl-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119362647
2-(4-chlorophenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1,3-thiazole-4-carboxamide
CID 18208187
N-[[3-fluoro-4-(methanesulfonamido)-5-methylphenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 44603252

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 67112020) is N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is CS(=O)(=O)Nc1c(F)cc(CCNC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1F.
What is the InChIKey of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BNVDONCAXYMUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N3O3S2/c1-33(30,31)28-17-14(21)7-11(8-15(17)22)5-6-26-18(29)16-10-32-19(27-16)12-3-2-4-13(9-12)20(23,24)25/h2-4,7-10,28H,5-6H2,1H3,(H,26,29).
What are the key properties of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 505.49 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67112020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).