2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide

C21H22FN5O4S2 — CID 138673725

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H22FN5O4S2/c1-3-14(18-11-32-21(26-18)27-33(29,30)13-5-6-13)20(28)25-16-7-4-12(8-15(16)22)17-9-23-10-19(24-17)31-2/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyUSJYWBPZXFWXBT-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.78
Rot. Bonds9

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide (PubChem CID 138673725) has the molecular formula C21H22FN5O4S2 and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide
PubChem CID138673725
Molecular FormulaC21H22FN5O4S2
Molecular Weight491.57 g/mol
Exact Mass491.11
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H22FN5O4S2/c1-3-14(18-11-32-21(26-18)27-33(29,30)13-5-6-13)20(28)25-16-7-4-12(8-15(16)22)17-9-23-10-19(24-17)31-2/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyUSJYWBPZXFWXBT-UHFFFAOYSA-N
XLogP3.78
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
CID 138673588
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-(4-pyridin-4-ylphenyl)acetamide
CID 138673742
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-(4-pyridin-3-ylphenyl)acetamide
CID 138673842
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]-2-methylpropanamide
CID 138673996
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide
CID 139503393
Ctps1-IN-1
CID 152139448
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide
CID 171358520
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide
CID 139510075
[2-[(3-Fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]-(5-methoxypyrazin-2-yl)methanesulfinate
CID 91805136
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]propanamide
CID 138673484

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide (CID 138673725) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide is CCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
The InChIKey is USJYWBPZXFWXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O4S2/c1-3-14(18-11-32-21(26-18)27-33(29,30)13-5-6-13)20(28)25-16-7-4-12(8-15(16)22)17-9-23-10-19(24-17)31-2/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide has a molecular weight of 491.57 g/mol, XLogP of 3.78, 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-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide is sourced from PubChem (CID 138673725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).