5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide

C17H17F3N4O5S — CID 56579205

IUPAC5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)c1
InChIInChI=1S/C17H17F3N4O5S/c1-10(25)22-11-3-5-14(24-30(2,27)28)13(7-11)16(26)23-12-4-6-15(21-8-12)29-9-17(18,19)20/h3-8,24H,9H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOFEWBORYBSHLEI-UHFFFAOYSA-N
MW446.41 g/mol
LogP2.60
Rot. Bonds7

About 5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide

5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide (PubChem CID 56579205) has the molecular formula C17H17F3N4O5S and a molecular weight of 446.41 g/mol. Its IUPAC name is 5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
PubChem CID56579205
Molecular FormulaC17H17F3N4O5S
Molecular Weight446.41 g/mol
Exact Mass446.09
IUPAC Name5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)c1
InChIInChI=1S/C17H17F3N4O5S/c1-10(25)22-11-3-5-14(24-30(2,27)28)13(7-11)16(26)23-12-4-6-15(21-8-12)29-9-17(18,19)20/h3-8,24H,9H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOFEWBORYBSHLEI-UHFFFAOYSA-N
XLogP2.60
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.41
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide with MolForge

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Related Compounds

N-[3-(methanesulfonamido)-4-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24673292
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide
CID 61063335
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 56516493
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
CID 56579091
N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705667
5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide
CID 56516233
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712190
5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119643324
5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
CID 56579817
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide (CID 56579205) is 5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)c1.
What is the InChIKey of 5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The InChIKey is OFEWBORYBSHLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O5S/c1-10(25)22-11-3-5-14(24-30(2,27)28)13(7-11)16(26)23-12-4-6-15(21-8-12)29-9-17(18,19)20/h3-8,24H,9H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide has a molecular weight of 446.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 56579205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).