3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide

C24H27N3O4S2 — CID 55817376

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C24H27N3O4S2/c1-16-11-17(2)15-27(14-16)33(29,30)22-13-18(7-8-21(22)31-3)23(28)26-20-6-4-5-19(12-20)24-25-9-10-32-24/h4-10,12-13,16-17H,11,14-15H2,1-3H3,(H,26,28)
InChIKeyYQZFEIMGGXBZQP-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.74
Rot. Bonds6

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 55817376) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID55817376
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C24H27N3O4S2/c1-16-11-17(2)15-27(14-16)33(29,30)22-13-18(7-8-21(22)31-3)23(28)26-20-6-4-5-19(12-20)24-25-9-10-32-24/h4-10,12-13,16-17H,11,14-15H2,1-3H3,(H,26,28)
InChIKeyYQZFEIMGGXBZQP-UHFFFAOYSA-N
XLogP4.74
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
CID 55817472
N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55450949
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 26086684
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 26878496
N-(6-chloro-1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 42924422
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 55908130
N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide
CID 26086200
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
CID 51279171
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide
CID 46520248
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N'-(3-methylbutanoyl)benzohydrazide
CID 46423752
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 167907390
ethyl 5-[[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoyl]amino]thiadiazole-4-carboxylate
CID 55671078

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide (CID 55817376) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is YQZFEIMGGXBZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-16-11-17(2)15-27(14-16)33(29,30)22-13-18(7-8-21(22)31-3)23(28)26-20-6-4-5-19(12-20)24-25-9-10-32-24/h4-10,12-13,16-17H,11,14-15H2,1-3H3,(H,26,28).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 485.63 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 55817376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).