3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide

C23H32N2O5S — CID 55363883

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccco2)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C23H32N2O5S/c1-16-12-17(2)15-25(14-16)31(27,28)22-13-19(8-10-21(22)29-4)23(26)24-18(3)7-9-20-6-5-11-30-20/h5-6,8,10-11,13,16-18H,7,9,12,14-15H2,1-4H3,(H,24,26)
InChIKeyIMYNHMRCOKJXNK-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.71
Rot. Bonds8

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide (PubChem CID 55363883) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide
PubChem CID55363883
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccco2)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C23H32N2O5S/c1-16-12-17(2)15-25(14-16)31(27,28)22-13-19(8-10-21(22)29-4)23(26)24-18(3)7-9-20-6-5-11-30-20/h5-6,8,10-11,13,16-18H,7,9,12,14-15H2,1-4H3,(H,24,26)
InChIKeyIMYNHMRCOKJXNK-UHFFFAOYSA-N
XLogP3.71
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N'-(3-methylbutanoyl)benzohydrazide
CID 46423752
N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 79671902
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 55908130
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
CID 51279171
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55797464
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-prop-2-enylbenzamide
CID 51157554
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55408650
3-oxobutan-2-yl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate
CID 43028418
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-4-methoxybenzamide
CID 100853032
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 26086684
N-[(2,4-dimethoxyphenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 46590391
N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 42924422

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide (CID 55363883) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)CCc2ccco2)cc1S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide?
The InChIKey is IMYNHMRCOKJXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-16-12-17(2)15-25(14-16)31(27,28)22-13-19(8-10-21(22)29-4)23(26)24-18(3)7-9-20-6-5-11-30-20/h5-6,8,10-11,13,16-18H,7,9,12,14-15H2,1-4H3,(H,24,26).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide has a molecular weight of 448.59 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(furan-2-yl)butan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 55363883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).