2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide

C24H26FN5O4S — CID 139510010

IUPAC2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C24H26FN5O4S/c1-3-17(19-6-5-7-22(27-19)30-35(32,33)16-9-10-16)24(31)29-20-11-8-15(12-18(20)25)21-13-26-14-23(28-21)34-4-2/h5-8,11-14,16-17H,3-4,9-10H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyWWGJHMWFJFCFNF-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.11
Rot. Bonds10

About 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide

2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide (PubChem CID 139510010) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide.

Molecular Properties

Compound Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide
PubChem CID139510010
Molecular FormulaC24H26FN5O4S
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C24H26FN5O4S/c1-3-17(19-6-5-7-22(27-19)30-35(32,33)16-9-10-16)24(31)29-20-11-8-15(12-18(20)25)21-13-26-14-23(28-21)34-4-2/h5-8,11-14,16-17H,3-4,9-10H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyWWGJHMWFJFCFNF-UHFFFAOYSA-N
XLogP4.11
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide?
The IUPAC name of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide (CID 139510010) is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide.
What is the SMILES notation for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide?
The canonical SMILES for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide is CCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide?
The InChIKey is WWGJHMWFJFCFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-3-17(19-6-5-7-22(27-19)30-35(32,33)16-9-10-16)24(31)29-20-11-8-15(12-18(20)25)21-13-26-14-23(28-21)34-4-2/h5-8,11-14,16-17H,3-4,9-10H2,1-2H3,(H,27,30)(H,29,31).
What are the key properties of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide?
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide has a molecular weight of 499.57 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]butanamide is sourced from PubChem (CID 139510010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).