N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C20H22F3N3O4S — CID 31936110

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)CC1
InChIInChI=1S/C20H22F3N3O4S/c1-14-8-11-26(12-9-14)31(29,30)16-6-4-15(5-7-16)24-18(27)13-25-10-2-3-17(19(25)28)20(21,22)23/h2-7,10,14H,8-9,11-13H2,1H3,(H,24,27)
InChIKeyBWXKIIAVJBQMSX-UHFFFAOYSA-N
MW457.47 g/mol
LogP2.93
Rot. Bonds5

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 31936110) has the molecular formula C20H22F3N3O4S and a molecular weight of 457.47 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID31936110
Molecular FormulaC20H22F3N3O4S
Molecular Weight457.47 g/mol
Exact Mass457.13
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)CC1
InChIInChI=1S/C20H22F3N3O4S/c1-14-8-11-26(12-9-14)31(29,30)16-6-4-15(5-7-16)24-18(27)13-25-10-2-3-17(19(25)28)20(21,22)23/h2-7,10,14H,8-9,11-13H2,1H3,(H,24,27)
InChIKeyBWXKIIAVJBQMSX-UHFFFAOYSA-N
XLogP2.93
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 25486257
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 30749963
2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 9492775
2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 15992263
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 2975834
2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3229482
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
2-(4-methylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1152713

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 31936110) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is BWXKIIAVJBQMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4S/c1-14-8-11-26(12-9-14)31(29,30)16-6-4-15(5-7-16)24-18(27)13-25-10-2-3-17(19(25)28)20(21,22)23/h2-7,10,14H,8-9,11-13H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 457.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 31936110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).