N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide

C23H26FN5O4S2 — CID 150710121

IUPACN-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
SMILESCCC(NC(=O)c1ccc(-c2cncc(OC(C)C)n2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C23H26FN5O4S2/c1-4-18(20-12-34-23(28-20)29-35(31,32)15-6-7-15)27-22(30)16-8-5-14(9-17(16)24)19-10-25-11-21(26-19)33-13(2)3/h5,8-13,15,18H,4,6-7H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyJNRVBAYIIWHYOJ-UHFFFAOYSA-N
MW519.62 g/mol
LogP4.31
Rot. Bonds10

About N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide

N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide (PubChem CID 150710121) has the molecular formula C23H26FN5O4S2 and a molecular weight of 519.62 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
PubChem CID150710121
Molecular FormulaC23H26FN5O4S2
Molecular Weight519.62 g/mol
Exact Mass519.14
IUPAC NameN-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
SMILESCCC(NC(=O)c1ccc(-c2cncc(OC(C)C)n2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C23H26FN5O4S2/c1-4-18(20-12-34-23(28-20)29-35(31,32)15-6-7-15)27-22(30)16-8-5-14(9-17(16)24)19-10-25-11-21(26-19)33-13(2)3/h5,8-13,15,18H,4,6-7H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyJNRVBAYIIWHYOJ-UHFFFAOYSA-N
XLogP4.31
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
The IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide (CID 150710121) is N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide.
What is the SMILES notation for N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
The canonical SMILES for N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide is CCC(NC(=O)c1ccc(-c2cncc(OC(C)C)n2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
The InChIKey is JNRVBAYIIWHYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S2/c1-4-18(20-12-34-23(28-20)29-35(31,32)15-6-7-15)27-22(30)16-8-5-14(9-17(16)24)19-10-25-11-21(26-19)33-13(2)3/h5,8-13,15,18H,4,6-7H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide has a molecular weight of 519.62 g/mol, XLogP of 4.31, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide is sourced from PubChem (CID 150710121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).