1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide

C22H29N3O3S — CID 5309443

IUPAC1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C22H29N3O3S/c1-22(2,3)17-10-12-19(13-11-17)29(27,28)25-15-7-5-9-20(25)21(26)24-16-18-8-4-6-14-23-18/h4,6,8,10-14,20H,5,7,9,15-16H2,1-3H3,(H,24,26)
InChIKeyVYBRUXXNPXPFGA-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.24
Rot. Bonds5

About 1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide

1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 5309443) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
PubChem CID5309443
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C22H29N3O3S/c1-22(2,3)17-10-12-19(13-11-17)29(27,28)25-15-7-5-9-20(25)21(26)24-16-18-8-4-6-14-23-18/h4,6,8,10-14,20H,5,7,9,15-16H2,1-3H3,(H,24,26)
InChIKeyVYBRUXXNPXPFGA-UHFFFAOYSA-N
XLogP3.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide (CID 5309443) is 1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is VYBRUXXNPXPFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-22(2,3)17-10-12-19(13-11-17)29(27,28)25-15-7-5-9-20(25)21(26)24-16-18-8-4-6-14-23-18/h4,6,8,10-14,20H,5,7,9,15-16H2,1-3H3,(H,24,26).
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide?
1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 5309443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).