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

C23H23N5O3S2 — CID 138674012

IUPACN-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)c2csc(NS(=O)(=O)C3CC3)n2)ccc1-c1cncc(C#N)c1
InChIInChI=1S/C23H23N5O3S2/c1-14-8-17(4-7-19(14)16-9-15(10-24)11-25-12-16)26-21(29)23(2,3)20-13-32-22(27-20)28-33(30,31)18-5-6-18/h4,7-9,11-13,18H,5-6H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyZOOAQNZLHBSJSG-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.21
Rot. Bonds7

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

N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide (PubChem CID 138674012) has the molecular formula C23H23N5O3S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
PubChem CID138674012
Molecular FormulaC23H23N5O3S2
Molecular Weight481.60 g/mol
Exact Mass481.12
IUPAC NameN-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)c2csc(NS(=O)(=O)C3CC3)n2)ccc1-c1cncc(C#N)c1
InChIInChI=1S/C23H23N5O3S2/c1-14-8-17(4-7-19(14)16-9-15(10-24)11-25-12-16)26-21(29)23(2,3)20-13-32-22(27-20)28-33(30,31)18-5-6-18/h4,7-9,11-13,18H,5-6H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyZOOAQNZLHBSJSG-UHFFFAOYSA-N
XLogP4.21
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(5-cyano-3-pyridinyl)-2,6-dimethylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673795
N-[4-(3-cyanophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673714
N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide
CID 138673927
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-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
CID 138673738
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
N-[4-(6-cyanopyrazin-2-yl)phenyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701239
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 139503495

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide (CID 138674012) is N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide is Cc1cc(NC(=O)C(C)(C)c2csc(NS(=O)(=O)C3CC3)n2)ccc1-c1cncc(C#N)c1.
What is the InChIKey of N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
The InChIKey is ZOOAQNZLHBSJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S2/c1-14-8-17(4-7-19(14)16-9-15(10-24)11-25-12-16)26-21(29)23(2,3)20-13-32-22(27-20)28-33(30,31)18-5-6-18/h4,7-9,11-13,18H,5-6H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide?
N-[4-(5-cyano-3-pyridinyl)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide has a molecular weight of 481.60 g/mol, XLogP of 4.21, 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)-3-methylphenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 138674012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).