1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide

C19H20N4O3S — CID 91644378

IUPAC1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3nnc4cc(C)ccn34)CCC2)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-4-6-15(7-5-13)27(25,26)19(9-3-10-19)17(24)20-18-22-21-16-12-14(2)8-11-23(16)18/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,22,24)
InChIKeyIJDNEAUUZLUDRO-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide

1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide (PubChem CID 91644378) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide
PubChem CID91644378
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3nnc4cc(C)ccn34)CCC2)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-4-6-15(7-5-13)27(25,26)19(9-3-10-19)17(24)20-18-22-21-16-12-14(2)8-11-23(16)18/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,22,24)
InChIKeyIJDNEAUUZLUDRO-UHFFFAOYSA-N
XLogP2.68
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide (CID 91644378) is 1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3nnc4cc(C)ccn34)CCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide?
The InChIKey is IJDNEAUUZLUDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-4-6-15(7-5-13)27(25,26)19(9-3-10-19)17(24)20-18-22-21-16-12-14(2)8-11-23(16)18/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,22,24).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 91644378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).