3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide

C23H27N3O5S2 — CID 17439609

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C23H27N3O5S2/c1-15-9-16(2)13-26(12-15)33(28,29)21-10-17(6-7-19(21)30-3)22(27)24-11-18-14-31-23(25-18)20-5-4-8-32-20/h4-8,10,14-16H,9,11-13H2,1-3H3,(H,24,27)
InChIKeyUWEWNSZIBFLQTH-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.01
Rot. Bonds7

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide (PubChem CID 17439609) has the molecular formula C23H27N3O5S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
PubChem CID17439609
Molecular FormulaC23H27N3O5S2
Molecular Weight489.62 g/mol
Exact Mass489.14
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C23H27N3O5S2/c1-15-9-16(2)13-26(12-15)33(28,29)21-10-17(6-7-19(21)30-3)22(27)24-11-18-14-31-23(25-18)20-5-4-8-32-20/h4-8,10,14-16H,9,11-13H2,1-3H3,(H,24,27)
InChIKeyUWEWNSZIBFLQTH-UHFFFAOYSA-N
XLogP4.01
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide (CID 17439609) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide is COc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
The InChIKey is UWEWNSZIBFLQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S2/c1-15-9-16(2)13-26(12-15)33(28,29)21-10-17(6-7-19(21)30-3)22(27)24-11-18-14-31-23(25-18)20-5-4-8-32-20/h4-8,10,14-16H,9,11-13H2,1-3H3,(H,24,27).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide has a molecular weight of 489.62 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 17439609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).