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

C24H25N5O3S2 — CID 138673927

IUPACN-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide
SMILESCCC(CC)(C(=O)Nc1ccc(-c2cncc(C#N)c2)cc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C24H25N5O3S2/c1-3-24(4-2,21-15-33-23(28-21)29-34(31,32)20-9-10-20)22(30)27-19-7-5-17(6-8-19)18-11-16(12-25)13-26-14-18/h5-8,11,13-15,20H,3-4,9-10H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyDNINANBCCXOFRG-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.68
Rot. Bonds9

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

N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide (PubChem CID 138673927) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide
PubChem CID138673927
Molecular FormulaC24H25N5O3S2
Molecular Weight495.63 g/mol
Exact Mass495.14
IUPAC NameN-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide
SMILESCCC(CC)(C(=O)Nc1ccc(-c2cncc(C#N)c2)cc1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C24H25N5O3S2/c1-3-24(4-2,21-15-33-23(28-21)29-34(31,32)20-9-10-20)22(30)27-19-7-5-17(6-8-19)18-11-16(12-25)13-26-14-18/h5-8,11,13-15,20H,3-4,9-10H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyDNINANBCCXOFRG-UHFFFAOYSA-N
XLogP4.68
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.68
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-(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
6-[4-[[2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoyl]amino]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 138673878
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
N-[4-[2-methyl-3-oxo-4-(4-pyrimidin-5-ylphenyl)butan-2-yl]-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 158557128
N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
CID 138673723
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide
CID 138673721
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methyl-N-(4-pyridin-3-ylphenyl)butanamide
CID 138673665
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 139503495
2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide
CID 138701205

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide?
The IUPAC name of N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide (CID 138673927) is N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide?
The canonical SMILES for N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide is CCC(CC)(C(=O)Nc1ccc(-c2cncc(C#N)c2)cc1)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide?
The InChIKey is DNINANBCCXOFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c1-3-24(4-2,21-15-33-23(28-21)29-34(31,32)20-9-10-20)22(30)27-19-7-5-17(6-8-19)18-11-16(12-25)13-26-14-18/h5-8,11,13-15,20H,3-4,9-10H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide?
N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide has a molecular weight of 495.63 g/mol, XLogP of 4.68, 9 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)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide is sourced from PubChem (CID 138673927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).