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

C22H22F3N5O4S2 — CID 138673764

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OCC(F)(F)F)n2)cc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H22F3N5O4S2/c1-2-16(18-11-35-21(29-18)30-36(32,33)15-7-8-15)20(31)27-14-5-3-13(4-6-14)17-9-26-10-19(28-17)34-12-22(23,24)25/h3-6,9-11,15-16H,2,7-8,12H2,1H3,(H,27,31)(H,29,30)
InChIKeyVOGVNSRBIUXFJJ-UHFFFAOYSA-N
MW541.58 g/mol
LogP4.58
Rot. Bonds10

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

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide (PubChem CID 138673764) has the molecular formula C22H22F3N5O4S2 and a molecular weight of 541.58 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide
PubChem CID138673764
Molecular FormulaC22H22F3N5O4S2
Molecular Weight541.58 g/mol
Exact Mass541.11
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OCC(F)(F)F)n2)cc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H22F3N5O4S2/c1-2-16(18-11-35-21(29-18)30-36(32,33)15-7-8-15)20(31)27-14-5-3-13(4-6-14)17-9-26-10-19(28-17)34-12-22(23,24)25/h3-6,9-11,15-16H,2,7-8,12H2,1H3,(H,27,31)(H,29,30)
InChIKeyVOGVNSRBIUXFJJ-UHFFFAOYSA-N
XLogP4.58
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.58
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide (CID 138673764) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide is CCC(C(=O)Nc1ccc(-c2cncc(OCC(F)(F)F)n2)cc1)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide?
The InChIKey is VOGVNSRBIUXFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O4S2/c1-2-16(18-11-35-21(29-18)30-36(32,33)15-7-8-15)20(31)27-14-5-3-13(4-6-14)17-9-26-10-19(28-17)34-12-22(23,24)25/h3-6,9-11,15-16H,2,7-8,12H2,1H3,(H,27,31)(H,29,30).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide has a molecular weight of 541.58 g/mol, XLogP of 4.58, 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-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide is sourced from PubChem (CID 138673764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).