2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

C21H20FN3O3S — CID 1137690

IUPAC2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-16-4-10-20(11-5-16)29(27,28)25(19-8-6-18(22)7-9-19)15-21(26)24-14-17-3-2-12-23-13-17/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyZYIKNCYOZBAYEP-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.04
Rot. Bonds7

About 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1137690) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1137690
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-16-4-10-20(11-5-16)29(27,28)25(19-8-6-18(22)7-9-19)15-21(26)24-14-17-3-2-12-23-13-17/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyZYIKNCYOZBAYEP-UHFFFAOYSA-N
XLogP3.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 53280149
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51343851
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51344652
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272987
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51344682
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 30265535
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 126413663
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1137711
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 5020790
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172029

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 1137690) is 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZYIKNCYOZBAYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-16-4-10-20(11-5-16)29(27,28)25(19-8-6-18(22)7-9-19)15-21(26)24-14-17-3-2-12-23-13-17/h2-13H,14-15H2,1H3,(H,24,26).
What are the key properties of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 413.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1137690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).