1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide

C24H26N2O3S — CID 26087384

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4ccccc4c3)CC2)c(C)c1
InChIInChI=1S/C24H26N2O3S/c1-17-7-10-23(18(2)15-17)30(28,29)26-13-11-20(12-14-26)24(27)25-22-9-8-19-5-3-4-6-21(19)16-22/h3-10,15-16,20H,11-14H2,1-2H3,(H,25,27)
InChIKeyBVDXBRHNVHNETF-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.50
Rot. Bonds4

About 1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide (PubChem CID 26087384) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide
PubChem CID26087384
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4ccccc4c3)CC2)c(C)c1
InChIInChI=1S/C24H26N2O3S/c1-17-7-10-23(18(2)15-17)30(28,29)26-13-11-20(12-14-26)24(27)25-22-9-8-19-5-3-4-6-21(19)16-22/h3-10,15-16,20H,11-14H2,1-2H3,(H,25,27)
InChIKeyBVDXBRHNVHNETF-UHFFFAOYSA-N
XLogP4.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45741848
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CID 1312791
CID 1312791
CID 1970013
CID 1970013
CID 2359120
CID 2359120
CID 2520104
CID 2520104
CID 3135463
CID 3135463
CID 16105856
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CID 21372918
CID 21372918
CID 26087805
CID 26087805

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide (CID 26087384) is 1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4ccccc4c3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide?
The InChIKey is BVDXBRHNVHNETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17-7-10-23(18(2)15-17)30(28,29)26-13-11-20(12-14-26)24(27)25-22-9-8-19-5-3-4-6-21(19)16-22/h3-10,15-16,20H,11-14H2,1-2H3,(H,25,27).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-naphthalen-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 26087384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).