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

C22H24FN5O4S — CID 155464077

IUPACN-(2-cyclopropyltriazol-4-yl)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)c2cnn(C3CC3)n2)ccn1
InChIInChI=1S/C22H24FN5O4S/c1-13(2)17-9-15(23)10-18(14-6-7-24-21(8-14)32-3)19(17)11-20(29)27-33(30,31)22-12-25-28(26-22)16-4-5-16/h6-10,12-13,16H,4-5,11H2,1-3H3,(H,27,29)
InChIKeyDNJJROPAGGBWFO-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.99
Rot. Bonds8

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

N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155464077) has the molecular formula C22H24FN5O4S and a molecular weight of 473.53 g/mol. Its IUPAC name is N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155464077
Molecular FormulaC22H24FN5O4S
Molecular Weight473.53 g/mol
Exact Mass473.15
IUPAC NameN-(2-cyclopropyltriazol-4-yl)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)c2cnn(C3CC3)n2)ccn1
InChIInChI=1S/C22H24FN5O4S/c1-13(2)17-9-15(23)10-18(14-6-7-24-21(8-14)32-3)19(17)11-20(29)27-33(30,31)22-12-25-28(26-22)16-4-5-16/h6-10,12-13,16H,4-5,11H2,1-3H3,(H,27,29)
InChIKeyDNJJROPAGGBWFO-UHFFFAOYSA-N
XLogP2.99
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155464077) is N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-(2-cyclopropyltriazol-4-yl)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)c2cnn(C3CC3)n2)ccn1.
What is the InChIKey of N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is DNJJROPAGGBWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4S/c1-13(2)17-9-15(23)10-18(14-6-7-24-21(8-14)32-3)19(17)11-20(29)27-33(30,31)22-12-25-28(26-22)16-4-5-16/h6-10,12-13,16H,4-5,11H2,1-3H3,(H,27,29).
What are the key properties of N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 473.53 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyltriazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155464077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).