N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C19H20F3N3O5S — CID 30749963

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20F3N3O5S/c20-19(21,22)16-2-1-7-24(18(16)27)13-17(26)23-12-14-3-5-15(6-4-14)31(28,29)25-8-10-30-11-9-25/h1-7H,8-13H2,(H,23,26)
InChIKeyBJSRDNSIDZPLNZ-UHFFFAOYSA-N
MW459.45 g/mol
LogP1.20
Rot. Bonds6

About N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 30749963) has the molecular formula C19H20F3N3O5S and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID30749963
Molecular FormulaC19H20F3N3O5S
Molecular Weight459.45 g/mol
Exact Mass459.11
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20F3N3O5S/c20-19(21,22)16-2-1-7-24(18(16)27)13-17(26)23-12-14-3-5-15(6-4-14)31(28,29)25-8-10-30-11-9-25/h1-7H,8-13H2,(H,23,26)
InChIKeyBJSRDNSIDZPLNZ-UHFFFAOYSA-N
XLogP1.20
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 32923314
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31936110
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetamide
CID 53170666
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24518898
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 30749963) is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is BJSRDNSIDZPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O5S/c20-19(21,22)16-2-1-7-24(18(16)27)13-17(26)23-12-14-3-5-15(6-4-14)31(28,29)25-8-10-30-11-9-25/h1-7H,8-13H2,(H,23,26).
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 459.45 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 30749963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).