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

C21H20F2N4O3S2 — CID 138673862

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cncc(F)c2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H20F2N4O3S2/c1-21(2,18-11-31-20(26-18)27-32(29,30)15-4-5-15)19(28)25-17-6-3-12(8-16(17)23)13-7-14(22)10-24-9-13/h3,6-11,15H,4-5H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyZDTVIDMTRKHZAM-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.30
Rot. Bonds7

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

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide (PubChem CID 138673862) has the molecular formula C21H20F2N4O3S2 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide
PubChem CID138673862
Molecular FormulaC21H20F2N4O3S2
Molecular Weight478.55 g/mol
Exact Mass478.09
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cncc(F)c2)cc1F)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H20F2N4O3S2/c1-21(2,18-11-31-20(26-18)27-32(29,30)15-4-5-15)19(28)25-17-6-3-12(8-16(17)23)13-7-14(22)10-24-9-13/h3,6-11,15H,4-5H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyZDTVIDMTRKHZAM-UHFFFAOYSA-N
XLogP4.30
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-methylpropanamide
CID 138673909
2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide
CID 150516676
N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 155466007
N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673795
6-[4-[[2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoyl]amino]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 138673878
N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138674012
N-[4-(3-cyanophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673714
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
CID 138673738
N-[4-[2-methyl-3-oxo-4-(4-pyrimidin-5-ylphenyl)butan-2-yl]-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 158557128
2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
CID 138701449
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-(2-fluoro-4-pyrazin-2-ylphenyl)-2-methylpropanamide
CID 139509962
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(2-methoxypropan-2-yl)pyrazin-2-yl]phenyl]butanamide
CID 152650660

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide (CID 138673862) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(-c2cncc(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-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide?
The InChIKey is ZDTVIDMTRKHZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3S2/c1-21(2,18-11-31-20(26-18)27-32(29,30)15-4-5-15)19(28)25-17-6-3-12(8-16(17)23)13-7-14(22)10-24-9-13/h3,6-11,15H,4-5H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide has a molecular weight of 478.55 g/mol, XLogP of 4.30, 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-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 138673862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).