6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C31H30F3N5O7S2 — CID 11848125

IUPAC6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(S(=O)(=O)Nc2ccc(N3CCOCC3)nc2)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H30F3N5O7S2/c1-20-27(48(44,45)37-23-8-11-28(35-19-23)38-12-14-46-15-13-38)17-26(29(40)36-18-21-6-9-25(10-7-21)47(2,42)43)30(41)39(20)24-5-3-4-22(16-24)31(32,33)34/h3-11,16-17,19,37H,12-15,18H2,1-2H3,(H,36,40)
InChIKeyWXXVHEFUVLYQHK-UHFFFAOYSA-N
MW705.74 g/mol
LogP3.53
Rot. Bonds9

About 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11848125) has the molecular formula C31H30F3N5O7S2 and a molecular weight of 705.74 g/mol. Its IUPAC name is 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11848125
Molecular FormulaC31H30F3N5O7S2
Molecular Weight705.74 g/mol
Exact Mass705.15
IUPAC Name6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(S(=O)(=O)Nc2ccc(N3CCOCC3)nc2)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H30F3N5O7S2/c1-20-27(48(44,45)37-23-8-11-28(35-19-23)38-12-14-46-15-13-38)17-26(29(40)36-18-21-6-9-25(10-7-21)47(2,42)43)30(41)39(20)24-5-3-4-22(16-24)31(32,33)34/h3-11,16-17,19,37H,12-15,18H2,1-2H3,(H,36,40)
InChIKeyWXXVHEFUVLYQHK-UHFFFAOYSA-N
XLogP3.53
TPSA156.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500705.74
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11848125) is 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(S(=O)(=O)Nc2ccc(N3CCOCC3)nc2)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is WXXVHEFUVLYQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N5O7S2/c1-20-27(48(44,45)37-23-8-11-28(35-19-23)38-12-14-46-15-13-38)17-26(29(40)36-18-21-6-9-25(10-7-21)47(2,42)43)30(41)39(20)24-5-3-4-22(16-24)31(32,33)34/h3-11,16-17,19,37H,12-15,18H2,1-2H3,(H,36,40).
What are the key properties of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 705.74 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11848125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).