N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide

C20H20F3N5O4S2 — CID 138673775

IUPACN-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C(F)(F)F)n3)cc2)n1
InChIInChI=1S/C20H20F3N5O4S2/c1-4-32-16-10-24-9-14(26-16)12-5-7-13(8-6-12)25-17(29)19(2,3)15-11-33-18(27-15)28-34(30,31)20(21,22)23/h5-11H,4H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyGZUCNSYABWYBTL-UHFFFAOYSA-N
MW515.54 g/mol
LogP4.18
Rot. Bonds8

About N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide

N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide (PubChem CID 138673775) has the molecular formula C20H20F3N5O4S2 and a molecular weight of 515.54 g/mol. Its IUPAC name is N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide
PubChem CID138673775
Molecular FormulaC20H20F3N5O4S2
Molecular Weight515.54 g/mol
Exact Mass515.09
IUPAC NameN-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C(F)(F)F)n3)cc2)n1
InChIInChI=1S/C20H20F3N5O4S2/c1-4-32-16-10-24-9-14(26-16)12-5-7-13(8-6-12)25-17(29)19(2,3)15-11-33-18(27-15)28-34(30,31)20(21,22)23/h5-11H,4H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyGZUCNSYABWYBTL-UHFFFAOYSA-N
XLogP4.18
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide
CID 138673630
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)pyridin-3-yl]phenyl]-2-methylpropanamide
CID 138673770
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]-2-methylpropanamide
CID 138673996
Ctps1-IN-1
CID 152139448
2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139512767
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]propanamide
CID 138673484
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[5-(trifluoromethyl)pyridin-3-yl]phenyl]propanamide
CID 138673486
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]pyridin-2-yl]propanamide
CID 138673489
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[5-(trifluoromethyl)pyridin-3-yl]phenyl]butanamide
CID 138673525
2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide
CID 138673542
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]butanamide
CID 138673555
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide
CID 138673563

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide (CID 138673775) is N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C(F)(F)F)n3)cc2)n1.
What is the InChIKey of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide?
The InChIKey is GZUCNSYABWYBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O4S2/c1-4-32-16-10-24-9-14(26-16)12-5-7-13(8-6-12)25-17(29)19(2,3)15-11-33-18(27-15)28-34(30,31)20(21,22)23/h5-11H,4H2,1-3H3,(H,25,29)(H,27,28).
What are the key properties of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide?
N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide has a molecular weight of 515.54 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 138673775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).