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

C22H23N3O4S2 — CID 87501167

IUPAC4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C22H23N3O4S2/c26-21(25-13-4-5-17(15-25)16-29-19-6-2-1-3-7-19)18-8-10-20(11-9-18)31(27,28)24-22-23-12-14-30-22/h1-3,6-12,14,17H,4-5,13,15-16H2,(H,23,24)
InChIKeyONAQMOKNVKYEKQ-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.88
Rot. Bonds7

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

4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 87501167) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID87501167
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC Name4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C22H23N3O4S2/c26-21(25-13-4-5-17(15-25)16-29-19-6-2-1-3-7-19)18-8-10-20(11-9-18)31(27,28)24-22-23-12-14-30-22/h1-3,6-12,14,17H,4-5,13,15-16H2,(H,23,24)
InChIKeyONAQMOKNVKYEKQ-UHFFFAOYSA-N
XLogP3.88
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87487491
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809
4-[6-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane-4-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87486973
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
(4-methoxyphenyl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844873
[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 97156064
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971225
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971294
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 87501167) is 4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of 4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ONAQMOKNVKYEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c26-21(25-13-4-5-17(15-25)16-29-19-6-2-1-3-7-19)18-8-10-20(11-9-18)31(27,28)24-22-23-12-14-30-22/h1-3,6-12,14,17H,4-5,13,15-16H2,(H,23,24).
What are the key properties of 4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 457.58 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 87501167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).