2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C26H27F3N4O5S — CID 10347891

IUPAC2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)NCc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C26H27F3N4O5S/c1-17(2)23(24(35)26(27,28)29)31-22(34)16-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)32-39(37,38)30-15-18-9-5-3-6-10-18/h3-14,17,23,30,32H,15-16H2,1-2H3,(H,31,34)
InChIKeyCQZXZGBXPBCKAA-UHFFFAOYSA-N
MW564.59 g/mol
LogP3.23
Rot. Bonds11

About 2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10347891) has the molecular formula C26H27F3N4O5S and a molecular weight of 564.59 g/mol. Its IUPAC name is 2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10347891
Molecular FormulaC26H27F3N4O5S
Molecular Weight564.59 g/mol
Exact Mass564.17
IUPAC Name2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)NCc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C26H27F3N4O5S/c1-17(2)23(24(35)26(27,28)29)31-22(34)16-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)32-39(37,38)30-15-18-9-5-3-6-10-18/h3-14,17,23,30,32H,15-16H2,1-2H3,(H,31,34)
InChIKeyCQZXZGBXPBCKAA-UHFFFAOYSA-N
XLogP3.23
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.59
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10347891) is 2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)NCc2ccccc2)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is CQZXZGBXPBCKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O5S/c1-17(2)23(24(35)26(27,28)29)31-22(34)16-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)32-39(37,38)30-15-18-9-5-3-6-10-18/h3-14,17,23,30,32H,15-16H2,1-2H3,(H,31,34).
What are the key properties of 2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 564.59 g/mol, XLogP of 3.23, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10347891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).