N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide

C25H29FN4O5S — CID 155120946

IUPACN-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)CNS(=O)(=O)c2ccc(=O)n(C(C)C)c2)ccn1
InChIInChI=1S/C25H29FN4O5S/c1-15(2)20-11-18(26)12-21(17-8-9-27-23(10-17)35-5)25(20)29-22(31)13-28-36(33,34)19-6-7-24(32)30(14-19)16(3)4/h6-12,14-16,28H,13H2,1-5H3,(H,29,31)
InChIKeyITZYWAAMULEXHV-UHFFFAOYSA-N
MW516.60 g/mol
LogP3.68
Rot. Bonds9

About N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide

N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide (PubChem CID 155120946) has the molecular formula C25H29FN4O5S and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide
PubChem CID155120946
Molecular FormulaC25H29FN4O5S
Molecular Weight516.60 g/mol
Exact Mass516.18
IUPAC NameN-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)CNS(=O)(=O)c2ccc(=O)n(C(C)C)c2)ccn1
InChIInChI=1S/C25H29FN4O5S/c1-15(2)20-11-18(26)12-21(17-8-9-27-23(10-17)35-5)25(20)29-22(31)13-28-36(33,34)19-6-7-24(32)30(14-19)16(3)4/h6-12,14-16,28H,13H2,1-5H3,(H,29,31)
InChIKeyITZYWAAMULEXHV-UHFFFAOYSA-N
XLogP3.68
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide?
The IUPAC name of N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide (CID 155120946) is N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide?
The canonical SMILES for N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)CNS(=O)(=O)c2ccc(=O)n(C(C)C)c2)ccn1.
What is the InChIKey of N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide?
The InChIKey is ITZYWAAMULEXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O5S/c1-15(2)20-11-18(26)12-21(17-8-9-27-23(10-17)35-5)25(20)29-22(31)13-28-36(33,34)19-6-7-24(32)30(14-19)16(3)4/h6-12,14-16,28H,13H2,1-5H3,(H,29,31).
What are the key properties of N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide?
N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide has a molecular weight of 516.60 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonylamino]acetamide is sourced from PubChem (CID 155120946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).