2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide

C21H20FN3O4S — CID 2968767

IUPAC2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN3O4S/c1-2-29-19-9-11-20(12-10-19)30(27,28)25(18-7-5-16(22)6-8-18)15-21(26)24-17-4-3-13-23-14-17/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyJCSPMIRWXVNVNP-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.45
Rot. Bonds8

About 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide

2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide (PubChem CID 2968767) has the molecular formula C21H20FN3O4S and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide
PubChem CID2968767
Molecular FormulaC21H20FN3O4S
Molecular Weight429.47 g/mol
Exact Mass429.12
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN3O4S/c1-2-29-19-9-11-20(12-10-19)30(27,28)25(18-7-5-16(22)6-8-18)15-21(26)24-17-4-3-13-23-14-17/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyJCSPMIRWXVNVNP-UHFFFAOYSA-N
XLogP3.45
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
N-hydroxy-2-[(4-methoxybenzene)(pyridin-2-ylmethyl)sulfonamido]acetamide
CID 10760373
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]-N~2~-(Pyridin-4-Ylmethyl)glycinamide
CID 10831751
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
(2R,4Z)-N-hydroxy-4-phenoxyimino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 10719092
(2R)-2-[(6-fluoro-3-pyridinyl)methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 23657422
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
CID 24742028
N-(pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722533
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2424901
2-(4-Ethoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493067
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 989151
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1306472

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide (CID 2968767) is 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide?
The InChIKey is JCSPMIRWXVNVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4S/c1-2-29-19-9-11-20(12-10-19)30(27,28)25(18-7-5-16(22)6-8-18)15-21(26)24-17-4-3-13-23-14-17/h3-14H,2,15H2,1H3,(H,24,26).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide?
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide has a molecular weight of 429.47 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 2968767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).