2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide

C15H19F3N2O4S — CID 167743860

IUPAC2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H19F3N2O4S/c1-24-13-8-10(15(16,17)18)5-6-12(13)14(21)19-9-11-4-3-7-20(11)25(2,22)23/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyRQUOLHLTDBUTTP-LLVKDONJSA-N
MW380.39 g/mol
LogP1.87
Rot. Bonds5

About 2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide

2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 167743860) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID167743860
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Name2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H19F3N2O4S/c1-24-13-8-10(15(16,17)18)5-6-12(13)14(21)19-9-11-4-3-7-20(11)25(2,22)23/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyRQUOLHLTDBUTTP-LLVKDONJSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]benzamide
CID 110750237
N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16829927
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide
CID 66681124
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2,4-dimethoxybenzamide
CID 12848761
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
3-methoxy-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamoyl]benzoic acid
CID 176975927
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
1-tert-butyl-3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]urea
CID 110749992
methyl 2-methoxy-4-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 120712112
2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide
CID 143467098
3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 41222933

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide (CID 167743860) is 2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)ccc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is RQUOLHLTDBUTTP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c1-24-13-8-10(15(16,17)18)5-6-12(13)14(21)19-9-11-4-3-7-20(11)25(2,22)23/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of 2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide?
2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 380.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 167743860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).