N-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C22H24FN5O4S — CID 155463881

IUPACN-[(1-cyclopropyl-1,2,4-triazol-3-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)c2ncn(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)22-25-12-28(26-22)16-4-5-16/h6-10,12-13,16H,4-5,11H2,1-3H3,(H,27,29)
InChIKeyVOBJKXYIAWRIKY-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.99
Rot. Bonds8

About N-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155463881) has the molecular formula C22H24FN5O4S and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155463881
Molecular FormulaC22H24FN5O4S
Molecular Weight473.53 g/mol
Exact Mass473.15
IUPAC NameN-[(1-cyclopropyl-1,2,4-triazol-3-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)c2ncn(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)22-25-12-28(26-22)16-4-5-16/h6-10,12-13,16H,4-5,11H2,1-3H3,(H,27,29)
InChIKeyVOBJKXYIAWRIKY-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-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155463881) is N-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-[(1-cyclopropyl-1,2,4-triazol-3-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)c2ncn(C3CC3)n2)ccn1.
What is the InChIKey of N-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is VOBJKXYIAWRIKY-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)22-25-12-28(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-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-[(1-cyclopropyl-1,2,4-triazol-3-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-[(1-cyclopropyl-1,2,4-triazol-3-yl)sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155463881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).