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

C19H21F3N4O5S — CID 10457598

IUPAC2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(N)(=O)=O)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C19H21F3N4O5S/c1-11(2)16(17(28)19(20,21)22)24-15(27)10-26-14(12-6-4-3-5-7-12)9-8-13(18(26)29)25-32(23,30)31/h3-9,11,16,25H,10H2,1-2H3,(H,24,27)(H2,23,30,31)
InChIKeyYGKAYCUQLTYXSM-UHFFFAOYSA-N
MW474.46 g/mol
LogP1.40
Rot. Bonds8

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

2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10457598) has the molecular formula C19H21F3N4O5S and a molecular weight of 474.46 g/mol. Its IUPAC name is 2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10457598
Molecular FormulaC19H21F3N4O5S
Molecular Weight474.46 g/mol
Exact Mass474.12
IUPAC Name2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(N)(=O)=O)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C19H21F3N4O5S/c1-11(2)16(17(28)19(20,21)22)24-15(27)10-26-14(12-6-4-3-5-7-12)9-8-13(18(26)29)25-32(23,30)31/h3-9,11,16,25H,10H2,1-2H3,(H,24,27)(H2,23,30,31)
InChIKeyYGKAYCUQLTYXSM-UHFFFAOYSA-N
XLogP1.40
TPSA140.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Tentoxin
CID 5281143
2-Oxo-3-[[(methylamino)sulfonyl]amino]-6-phenyl-N-[1-(trifluoroacetyl)-2-methylpropyl]pyridine-1(2H)-acetamide
CID 1636
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
Ac-N(Bn)Gly-Val-Pro-Val-CF3
CID 73351831
N-[1-(2-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-3-methyl-butyramide
CID 6488626
N-[1-(3-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-3-methyl-butyramide
CID 6488664
2-(2-Oxo-6-phenyl-3-trifluoromethanesulfonylamino-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 9984374
2-(3-Acetylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10071747
2-{3-[Benzylamino-sulfanylamino]-2-oxo-6-phenyl-2H-pyridin-1-yl}-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10347891
2-(2,5-Dioxo-pyrrolidin-1-yl)-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide
CID 10414749

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10457598) is 2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(N)(=O)=O)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is YGKAYCUQLTYXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O5S/c1-11(2)16(17(28)19(20,21)22)24-15(27)10-26-14(12-6-4-3-5-7-12)9-8-13(18(26)29)25-32(23,30)31/h3-9,11,16,25H,10H2,1-2H3,(H,24,27)(H2,23,30,31).
What are the key properties of 2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 474.46 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10457598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).