N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C17H20F3N5O3S — CID 110253910

IUPACN-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCCN2S(=O)(=O)c2cn(C)cn2)cc1C(F)(F)F
InChIInChI=1S/C17H20F3N5O3S/c1-11(26)21-7-12-8-22-14(6-13(12)17(18,19)20)15-4-3-5-25(15)29(27,28)16-9-24(2)10-23-16/h6,8-10,15H,3-5,7H2,1-2H3,(H,21,26)
InChIKeyPRFYDEVJSLDEDN-UHFFFAOYSA-N
MW431.44 g/mol
LogP2.00
Rot. Bonds5

About N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 110253910) has the molecular formula C17H20F3N5O3S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID110253910
Molecular FormulaC17H20F3N5O3S
Molecular Weight431.44 g/mol
Exact Mass431.12
IUPAC NameN-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCCN2S(=O)(=O)c2cn(C)cn2)cc1C(F)(F)F
InChIInChI=1S/C17H20F3N5O3S/c1-11(26)21-7-12-8-22-14(6-13(12)17(18,19)20)15-4-3-5-25(15)29(27,28)16-9-24(2)10-23-16/h6,8-10,15H,3-5,7H2,1-2H3,(H,21,26)
InChIKeyPRFYDEVJSLDEDN-UHFFFAOYSA-N
XLogP2.00
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 95816267
N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 95816244
N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253855
N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253898
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide
CID 92625334
N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
CID 95813512
tert-butyl (2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate
CID 80999314
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617111
2-[(3-fluorophenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818487
5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
CID 124999412
1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
CID 95824678

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 110253910) is N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is CC(=O)NCc1cnc(C2CCCN2S(=O)(=O)c2cn(C)cn2)cc1C(F)(F)F.
What is the InChIKey of N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is PRFYDEVJSLDEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O3S/c1-11(26)21-7-12-8-22-14(6-13(12)17(18,19)20)15-4-3-5-25(15)29(27,28)16-9-24(2)10-23-16/h6,8-10,15H,3-5,7H2,1-2H3,(H,21,26).
What are the key properties of N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 431.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110253910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).