N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C24H21F2N3O4S — CID 155463915

IUPACN-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(F)c(C#N)c2)ccn1
InChIInChI=1S/C24H21F2N3O4S/c1-14(2)19-10-17(25)11-20(15-6-7-28-24(9-15)33-3)21(19)12-23(30)29-34(31,32)18-4-5-22(26)16(8-18)13-27/h4-11,14H,12H2,1-3H3,(H,29,30)
InChIKeySIMGXJUGHUOTPR-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.08
Rot. Bonds7

About N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155463915) has the molecular formula C24H21F2N3O4S and a molecular weight of 485.51 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155463915
Molecular FormulaC24H21F2N3O4S
Molecular Weight485.51 g/mol
Exact Mass485.12
IUPAC NameN-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(F)c(C#N)c2)ccn1
InChIInChI=1S/C24H21F2N3O4S/c1-14(2)19-10-17(25)11-20(15-6-7-28-24(9-15)33-3)21(19)12-23(30)29-34(31,32)18-4-5-22(26)16(8-18)13-27/h4-11,14H,12H2,1-3H3,(H,29,30)
InChIKeySIMGXJUGHUOTPR-UHFFFAOYSA-N
XLogP4.08
TPSA109.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155463915) is N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(F)c(C#N)c2)ccn1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is SIMGXJUGHUOTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O4S/c1-14(2)19-10-17(25)11-20(15-6-7-28-24(9-15)33-3)21(19)12-23(30)29-34(31,32)18-4-5-22(26)16(8-18)13-27/h4-11,14H,12H2,1-3H3,(H,29,30).
What are the key properties of N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 485.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155463915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).