2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide

C22H20F4N4O3S2 — CID 138673770

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)c2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H20F4N4O3S2/c1-21(2,18-11-34-20(29-18)30-35(32,33)15-4-5-15)19(31)28-17-6-3-12(8-16(17)23)13-7-14(10-27-9-13)22(24,25)26/h3,6-11,15H,4-5H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyFRRIFMIEOOQTNW-UHFFFAOYSA-N
MW528.55 g/mol
LogP5.18
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide (PubChem CID 138673770) has the molecular formula C22H20F4N4O3S2 and a molecular weight of 528.55 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide
PubChem CID138673770
Molecular FormulaC22H20F4N4O3S2
Molecular Weight528.55 g/mol
Exact Mass528.09
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)c2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H20F4N4O3S2/c1-21(2,18-11-34-20(29-18)30-35(32,33)15-4-5-15)19(31)28-17-6-3-12(8-16(17)23)13-7-14(10-27-9-13)22(24,25)26/h3,6-11,15H,4-5H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyFRRIFMIEOOQTNW-UHFFFAOYSA-N
XLogP5.18
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.55
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyclopropanesulfonamido-1,3-thiazol-4-yl)-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
CID 138674003
2-[3-(methanesulfonamido)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097630
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 138673516
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-(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-(4-fluorobenzenesulfonyl)-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 22581380
N-(pyridin-4-ylmethyl)-2-(2-((3-(trifluoromethyl)phenyl)amino)thiazol-4-yl)acetamide
CID 27377786
2-{2-[(4-fluorophenyl)amino]-1,3-thiazol-4-yl}-N-[(pyridin-3-yl)methyl]acetamide
CID 27377838
N-(pyridin-3-ylmethyl)-2-(2-((3-(trifluoromethyl)phenyl)amino)thiazol-4-yl)acetamide
CID 30859928

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide (CID 138673770) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)c2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide?
The InChIKey is FRRIFMIEOOQTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O3S2/c1-21(2,18-11-34-20(29-18)30-35(32,33)15-4-5-15)19(31)28-17-6-3-12(8-16(17)23)13-7-14(10-27-9-13)22(24,25)26/h3,6-11,15H,4-5H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide has a molecular weight of 528.55 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 138673770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).