N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

C17H21F3N2O3S — CID 2950205

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O3S/c1-26(24,25)22(14-4-2-3-13(9-14)17(18,19)20)10-16(23)21-15-8-11-5-6-12(15)7-11/h2-4,9,11-12,15H,5-8,10H2,1H3,(H,21,23)
InChIKeyDCYFPVDEBRJURE-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.78
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 2950205) has the molecular formula C17H21F3N2O3S and a molecular weight of 390.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID2950205
Molecular FormulaC17H21F3N2O3S
Molecular Weight390.43 g/mol
Exact Mass390.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O3S/c1-26(24,25)22(14-4-2-3-13(9-14)17(18,19)20)10-16(23)21-15-8-11-5-6-12(15)7-11/h2-4,9,11-12,15H,5-8,10H2,1H3,(H,21,23)
InChIKeyDCYFPVDEBRJURE-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-chloro-N-methylsulfonylanilino)acetamide
CID 98123181
2-(3-acetyl-N-methylsulfonylanilino)-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 1243640
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1208615
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 124833793
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 7031515
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 124834503
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 154808462
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 27209460
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 124775916
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 6554150
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 23231964
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 2892492

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 2950205) is N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is CS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is DCYFPVDEBRJURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3S/c1-26(24,25)22(14-4-2-3-13(9-14)17(18,19)20)10-16(23)21-15-8-11-5-6-12(15)7-11/h2-4,9,11-12,15H,5-8,10H2,1H3,(H,21,23).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 390.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 2950205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).