N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide

C24H25N5O3S2 — CID 138673795

IUPACN-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
SMILESCc1cc(-c2cncc(C#N)c2)cc(C)c1NC(=O)C(C)(C)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C24H25N5O3S2/c1-14-7-17(18-9-16(10-25)11-26-12-18)8-15(2)21(14)28-22(30)24(3,4)20-13-33-23(27-20)29-34(31,32)19-5-6-19/h7-9,11-13,19H,5-6H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyLYKFGBRTIXDWRJ-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.51
Rot. Bonds7

About N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide

N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide (PubChem CID 138673795) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
PubChem CID138673795
Molecular FormulaC24H25N5O3S2
Molecular Weight495.63 g/mol
Exact Mass495.14
IUPAC NameN-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
SMILESCc1cc(-c2cncc(C#N)c2)cc(C)c1NC(=O)C(C)(C)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C24H25N5O3S2/c1-14-7-17(18-9-16(10-25)11-26-12-18)8-15(2)21(14)28-22(30)24(3,4)20-13-33-23(27-20)29-34(31,32)19-5-6-19/h7-9,11-13,19H,5-6H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyLYKFGBRTIXDWRJ-UHFFFAOYSA-N
XLogP4.51
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138674012
N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide
CID 138673927
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]-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-methylpropanamide
CID 138673909
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide
CID 138673862
6-[4-[[2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoyl]amino]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 138673878
N-[4-[2-methyl-3-oxo-4-(4-pyrimidin-5-ylphenyl)butan-2-yl]-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 158557128
2-[2-(cyclobutylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 138673783
N-(4-bromo-5-fluoro-2-methoxyphenyl)-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 155466007
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
CID 138673738
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-(6-pyridin-3-yl-3-pyridinyl)propanamide
CID 138673917
2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
CID 138701449

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide (CID 138673795) is N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide is Cc1cc(-c2cncc(C#N)c2)cc(C)c1NC(=O)C(C)(C)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The InChIKey is LYKFGBRTIXDWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c1-14-7-17(18-9-16(10-25)11-26-12-18)8-15(2)21(14)28-22(30)24(3,4)20-13-33-23(27-20)29-34(31,32)19-5-6-19/h7-9,11-13,19H,5-6H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide has a molecular weight of 495.63 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 138673795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).