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

C25H27FN2O4S — CID 155463786

IUPACN-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCCc1cccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)c1
InChIInChI=1S/C25H27FN2O4S/c1-5-17-7-6-8-20(11-17)33(30,31)28-24(29)15-23-21(16(2)3)13-19(26)14-22(23)18-9-10-27-25(12-18)32-4/h6-14,16H,5,15H2,1-4H3,(H,28,29)
InChIKeyLZGLRVJVEMMFQW-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.63
Rot. Bonds8

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

N-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155463786) has the molecular formula C25H27FN2O4S and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155463786
Molecular FormulaC25H27FN2O4S
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC NameN-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCCc1cccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)c1
InChIInChI=1S/C25H27FN2O4S/c1-5-17-7-6-8-20(11-17)33(30,31)28-24(29)15-23-21(16(2)3)13-19(26)14-22(23)18-9-10-27-25(12-18)32-4/h6-14,16H,5,15H2,1-4H3,(H,28,29)
InChIKeyLZGLRVJVEMMFQW-UHFFFAOYSA-N
XLogP4.63
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155463786) is N-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is CCc1cccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(OC)c3)cc(F)cc2C(C)C)c1.
What is the InChIKey of N-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is LZGLRVJVEMMFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4S/c1-5-17-7-6-8-20(11-17)33(30,31)28-24(29)15-23-21(16(2)3)13-19(26)14-22(23)18-9-10-27-25(12-18)32-4/h6-14,16H,5,15H2,1-4H3,(H,28,29).
What are the key properties of N-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 470.57 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155463786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).