2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide

C17H23N3O3S2 — CID 90597529

IUPAC2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NC2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-23-16-4-2-14(3-5-16)8-13-25(21,22)19-15-6-10-20(11-7-15)17-18-9-12-24-17/h2-5,9,12,15,19H,6-8,10-11,13H2,1H3
InChIKeyUKKCEVHNOOMPFT-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.28
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide

2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide (PubChem CID 90597529) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
PubChem CID90597529
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NC2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-23-16-4-2-14(3-5-16)8-13-25(21,22)19-15-6-10-20(11-7-15)17-18-9-12-24-17/h2-5,9,12,15,19H,6-8,10-11,13H2,1H3
InChIKeyUKKCEVHNOOMPFT-UHFFFAOYSA-N
XLogP2.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 99875511
2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 90621946
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
CID 90597556
1-(4-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 90597494
3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597489
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
4-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 71810066
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597538
(3aR,6aS)-3-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazol-2-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133133269

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide (CID 90597529) is 2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide is COc1ccc(CCS(=O)(=O)NC2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is UKKCEVHNOOMPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-23-16-4-2-14(3-5-16)8-13-25(21,22)19-15-6-10-20(11-7-15)17-18-9-12-24-17/h2-5,9,12,15,19H,6-8,10-11,13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide?
2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 381.52 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 90597529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).