1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide

C25H34N2O4S — CID 55782556

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)Cc4oc(C)cc43)CC2)c(C)c1
InChIInChI=1S/C25H34N2O4S/c1-16-6-7-23(17(2)12-16)32(29,30)27-10-8-19(9-11-27)24(28)26-21-14-25(4,5)15-22-20(21)13-18(3)31-22/h6-7,12-13,19,21H,8-11,14-15H2,1-5H3,(H,26,28)
InChIKeyJYFOPRJUEDIUCZ-UHFFFAOYSA-N
MW458.62 g/mol
LogP4.44
Rot. Bonds4

About 1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide (PubChem CID 55782556) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide
PubChem CID55782556
Molecular FormulaC25H34N2O4S
Molecular Weight458.62 g/mol
Exact Mass458.22
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)Cc4oc(C)cc43)CC2)c(C)c1
InChIInChI=1S/C25H34N2O4S/c1-16-6-7-23(17(2)12-16)32(29,30)27-10-8-19(9-11-27)24(28)26-21-14-25(4,5)15-22-20(21)13-18(3)31-22/h6-7,12-13,19,21H,8-11,14-15H2,1-5H3,(H,26,28)
InChIKeyJYFOPRJUEDIUCZ-UHFFFAOYSA-N
XLogP4.44
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.62
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 78799184
(2R)-2-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119369656
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120827983
N-(1-amino-2-methylpropan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119522375
1-(2,4-dimethylphenyl)sulfonyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide
CID 46574021
N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
(3R)-1-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]pyrrolidine-1,3-dicarboxamide
CID 94118955
(5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide
CID 124877407

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide (CID 55782556) is 1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)Cc4oc(C)cc43)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide?
The InChIKey is JYFOPRJUEDIUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4S/c1-16-6-7-23(17(2)12-16)32(29,30)27-10-8-19(9-11-27)24(28)26-21-14-25(4,5)15-22-20(21)13-18(3)31-22/h6-7,12-13,19,21H,8-11,14-15H2,1-5H3,(H,26,28).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide has a molecular weight of 458.62 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55782556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).