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

C26H26F3N3O5S — CID 10325233

IUPAC2-[3-(benzylsulfonylamino)-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)Cc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C26H26F3N3O5S/c1-17(2)23(24(34)26(27,28)29)30-22(33)15-32-21(19-11-7-4-8-12-19)14-13-20(25(32)35)31-38(36,37)16-18-9-5-3-6-10-18/h3-14,17,23,31H,15-16H2,1-2H3,(H,30,33)
InChIKeyDBFPNNLXHJIBAO-UHFFFAOYSA-N
MW549.57 g/mol
LogP3.73
Rot. Bonds10

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

2-[3-(benzylsulfonylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10325233) has the molecular formula C26H26F3N3O5S and a molecular weight of 549.57 g/mol. Its IUPAC name is 2-[3-(benzylsulfonylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(benzylsulfonylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10325233
Molecular FormulaC26H26F3N3O5S
Molecular Weight549.57 g/mol
Exact Mass549.15
IUPAC Name2-[3-(benzylsulfonylamino)-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)Cc2ccccc2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C26H26F3N3O5S/c1-17(2)23(24(34)26(27,28)29)30-22(33)15-32-21(19-11-7-4-8-12-19)14-13-20(25(32)35)31-38(36,37)16-18-9-5-3-6-10-18/h3-14,17,23,31H,15-16H2,1-2H3,(H,30,33)
InChIKeyDBFPNNLXHJIBAO-UHFFFAOYSA-N
XLogP3.73
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 9830006
2-Oxo-3-[[(methylamino)sulfonyl]amino]-6-phenyl-N-[1-(trifluoroacetyl)-2-methylpropyl]pyridine-1(2H)-acetamide
CID 1636
2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 9980554
2-(3-methylsulfonylamino-2-oxo-6-phenyl-1,2-dihydro-1-pyridyl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide
CID 10027816
2-(3-Ethylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10093766
2-(3-Amino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10250073
2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide
CID 10323328
{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid methyl ester
CID 10366641
2-(2-Oxo-6-phenyl-3-phenylacetylamino-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10391723
2-[3-(3-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10416037
N-(4-Amino-cyclohexylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44283905
2-(2-Oxo-6-phenyl-3-trifluoromethanesulfonylamino-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 9984374

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylsulfonylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[3-(benzylsulfonylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10325233) is 2-[3-(benzylsulfonylamino)-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-(benzylsulfonylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[3-(benzylsulfonylamino)-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)Cc2ccccc2)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[3-(benzylsulfonylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is DBFPNNLXHJIBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O5S/c1-17(2)23(24(34)26(27,28)29)30-22(33)15-32-21(19-11-7-4-8-12-19)14-13-20(25(32)35)31-38(36,37)16-18-9-5-3-6-10-18/h3-14,17,23,31H,15-16H2,1-2H3,(H,30,33).
What are the key properties of 2-[3-(benzylsulfonylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[3-(benzylsulfonylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 549.57 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylsulfonylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10325233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).