2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide

C22H24FN5O4S2 — CID 138673971

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C22H24FN5O4S2/c1-4-32-19-11-24-10-17(25-19)13-5-8-16(15(23)9-13)26-20(29)22(2,3)18-12-33-21(27-18)28-34(30,31)14-6-7-14/h5,8-12,14H,4,6-7H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyXPOPUYDKWKGRTE-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.96
Rot. Bonds9

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide (PubChem CID 138673971) has the molecular formula C22H24FN5O4S2 and a molecular weight of 505.60 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide
PubChem CID138673971
Molecular FormulaC22H24FN5O4S2
Molecular Weight505.60 g/mol
Exact Mass505.13
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C22H24FN5O4S2/c1-4-32-19-11-24-10-17(25-19)13-5-8-16(15(23)9-13)26-20(29)22(2,3)18-12-33-21(27-18)28-34(30,31)14-6-7-14/h5,8-12,14H,4,6-7H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyXPOPUYDKWKGRTE-UHFFFAOYSA-N
XLogP3.96
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide (CID 138673971) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The InChIKey is XPOPUYDKWKGRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4S2/c1-4-32-19-11-24-10-17(25-19)13-5-8-16(15(23)9-13)26-20(29)22(2,3)18-12-33-21(27-18)28-34(30,31)14-6-7-14/h5,8-12,14H,4,6-7H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide has a molecular weight of 505.60 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide is sourced from PubChem (CID 138673971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).