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

C24H28FN5O4S2 — CID 152650660

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(C(C)(C)OC)n2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C24H28FN5O4S2/c1-5-16(20-13-35-23(29-20)30-36(32,33)15-7-8-15)22(31)28-18-9-6-14(10-17(18)25)19-11-26-12-21(27-19)24(2,3)34-4/h6,9-13,15-16H,5,7-8H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyZHMFGAWUPZUAQX-UHFFFAOYSA-N
MW533.65 g/mol
LogP4.66
Rot. Bonds10

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

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide (PubChem CID 152650660) has the molecular formula C24H28FN5O4S2 and a molecular weight of 533.65 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide
PubChem CID152650660
Molecular FormulaC24H28FN5O4S2
Molecular Weight533.65 g/mol
Exact Mass533.16
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(C(C)(C)OC)n2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C24H28FN5O4S2/c1-5-16(20-13-35-23(29-20)30-36(32,33)15-7-8-15)22(31)28-18-9-6-14(10-17(18)25)19-11-26-12-21(27-19)24(2,3)34-4/h6,9-13,15-16H,5,7-8H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyZHMFGAWUPZUAQX-UHFFFAOYSA-N
XLogP4.66
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.65
LogP ≤ 54.66
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-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide (CID 152650660) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide is CCC(C(=O)Nc1ccc(-c2cncc(C(C)(C)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-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide?
The InChIKey is ZHMFGAWUPZUAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O4S2/c1-5-16(20-13-35-23(29-20)30-36(32,33)15-7-8-15)22(31)28-18-9-6-14(10-17(18)25)19-11-26-12-21(27-19)24(2,3)34-4/h6,9-13,15-16H,5,7-8H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide has a molecular weight of 533.65 g/mol, XLogP of 4.66, 10 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-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide is sourced from PubChem (CID 152650660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).