2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide

C19H25F3N2O4S — CID 170190719

IUPAC2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide
SMILESCOC12CC(C1)C(NC(=O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)C(C)(C)C)C2
InChIInChI=1S/C19H25F3N2O4S/c1-17(2,3)29(26,27)24-14-6-5-12(19(20,21)22)7-13(14)16(25)23-15-10-18(28-4)8-11(15)9-18/h5-7,11,15,24H,8-10H2,1-4H3,(H,23,25)
InChIKeyAFTVLZYBDWXHBJ-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.54
Rot. Bonds5

About 2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide

2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide (PubChem CID 170190719) has the molecular formula C19H25F3N2O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide
PubChem CID170190719
Molecular FormulaC19H25F3N2O4S
Molecular Weight434.48 g/mol
Exact Mass434.15
IUPAC Name2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide
SMILESCOC12CC(C1)C(NC(=O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)C(C)(C)C)C2
InChIInChI=1S/C19H25F3N2O4S/c1-17(2,3)29(26,27)24-14-6-5-12(19(20,21)22)7-13(14)16(25)23-15-10-18(28-4)8-11(15)9-18/h5-7,11,15,24H,8-10H2,1-4H3,(H,23,25)
InChIKeyAFTVLZYBDWXHBJ-UHFFFAOYSA-N
XLogP3.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

5-bromo-2-(tert-butylsulfonylamino)-N-[(2R)-4-phenyl-2-bicyclo[2.1.1]hexanyl]benzamide
CID 170190498
2-(tert-butylsulfonylamino)-N-(3-cyanobut-3-enyl)-5-(trifluoromethyl)benzamide
CID 166981869
N-(4-cyano-1-bicyclo[2.2.1]heptanyl)-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide
CID 150330074
2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
CID 114806531
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 26965393
2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269364
2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide
CID 175931825
N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide
CID 166770510
2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide
CID 113486012
tert-butyl N-[(1R,2S)-2-[[2-[[2-(2-methylprop-2-enylamino)-5-(trifluoromethyl)benzoyl]amino]acetyl]amino]cyclohexyl]carbamate
CID 68826537
2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770507
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide
CID 139521363

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide (CID 170190719) is 2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide is COC12CC(C1)C(NC(=O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)C(C)(C)C)C2.
What is the InChIKey of 2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide?
The InChIKey is AFTVLZYBDWXHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O4S/c1-17(2,3)29(26,27)24-14-6-5-12(19(20,21)22)7-13(14)16(25)23-15-10-18(28-4)8-11(15)9-18/h5-7,11,15,24H,8-10H2,1-4H3,(H,23,25).
What are the key properties of 2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide?
2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide has a molecular weight of 434.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylamino)-N-(4-methoxy-2-bicyclo[2.1.1]hexanyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 170190719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).