3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

C23H26N2O4S — CID 118984816

IUPAC3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)oc2c1
InChIInChI=1S/C23H26N2O4S/c1-15-7-10-19-17(3)22(29-20(19)13-15)23(26)24-18-9-8-16(2)21(14-18)30(27,28)25-11-5-4-6-12-25/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeyURITVCCCYLDGIM-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.78
Rot. Bonds4

About 3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 118984816) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID118984816
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)oc2c1
InChIInChI=1S/C23H26N2O4S/c1-15-7-10-19-17(3)22(29-20(19)13-15)23(26)24-18-9-8-16(2)21(14-18)30(27,28)25-11-5-4-6-12-25/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeyURITVCCCYLDGIM-UHFFFAOYSA-N
XLogP4.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5,7-trimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 118984818
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 16546118
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 56921836
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 2373627
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4526754
5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 9344621
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 118984816) is 3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)oc2c1.
What is the InChIKey of 3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is URITVCCCYLDGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-15-7-10-19-17(3)22(29-20(19)13-15)23(26)24-18-9-8-16(2)21(14-18)30(27,28)25-11-5-4-6-12-25/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,26).
What are the key properties of 3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 118984816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).