4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H23N3O5S2 — CID 87487491

IUPAC4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC2CCCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)cc1
InChIInChI=1S/C22H23N3O5S2/c1-29-17-6-8-18(9-7-17)30-19-3-2-13-25(15-19)21(26)16-4-10-20(11-5-16)32(27,28)24-22-23-12-14-31-22/h4-12,14,19H,2-3,13,15H2,1H3,(H,23,24)
InChIKeyGWUUMHXGPZDMGD-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.64
Rot. Bonds7

About 4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 87487491) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID87487491
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC Name4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC2CCCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)cc1
InChIInChI=1S/C22H23N3O5S2/c1-29-17-6-8-18(9-7-17)30-19-3-2-13-25(15-19)21(26)16-4-10-20(11-5-16)32(27,28)24-22-23-12-14-31-22/h4-12,14,19H,2-3,13,15H2,1H3,(H,23,24)
InChIKeyGWUUMHXGPZDMGD-UHFFFAOYSA-N
XLogP3.64
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87501167
1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55961185
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809
(4-methoxyphenyl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844873
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305
2-(4-methoxyphenyl)-2-sulfanylidene-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25048712
4-(4-methoxyphenyl)-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 108796477
4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87488147
1-(4-fluorobenzoyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223956
4-[6-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane-4-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87486973
N-[4-(3-pyridin-4-yloxypiperidine-1-carbonyl)phenyl]acetamide
CID 119100706
methyl 4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)benzoate
CID 122160936

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 87487491) is 4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1ccc(OC2CCCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is GWUUMHXGPZDMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-29-17-6-8-18(9-7-17)30-19-3-2-13-25(15-19)21(26)16-4-10-20(11-5-16)32(27,28)24-22-23-12-14-31-22/h4-12,14,19H,2-3,13,15H2,1H3,(H,23,24).
What are the key properties of 4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 473.58 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 87487491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).