N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide

C18H22N2OS — CID 2558790

IUPACN-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cccnc1Sc1ccc(C)cc1
InChIInChI=1S/C18H22N2OS/c1-5-18(3,4)20-16(21)15-7-6-12-19-17(15)22-14-10-8-13(2)9-11-14/h6-12H,5H2,1-4H3,(H,20,21)
InChIKeyIVJQNROULGLRPG-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.46
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide

N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 2558790) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID2558790
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cccnc1Sc1ccc(C)cc1
InChIInChI=1S/C18H22N2OS/c1-5-18(3,4)20-16(21)15-7-6-12-19-17(15)22-14-10-8-13(2)9-11-14/h6-12H,5H2,1-4H3,(H,20,21)
InChIKeyIVJQNROULGLRPG-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 33275524
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 8741093
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470
[2-oxo-2-(propylamino)ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 7773891
N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 4784859
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 7773885
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 8741098
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 7773883
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 32647200
N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 30892362

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide (CID 2558790) is N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide is CCC(C)(C)NC(=O)c1cccnc1Sc1ccc(C)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is IVJQNROULGLRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-5-18(3,4)20-16(21)15-7-6-12-19-17(15)22-14-10-8-13(2)9-11-14/h6-12H,5H2,1-4H3,(H,20,21).
What are the key properties of N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2558790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).