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

C18H25N3O3S2 — CID 90621946

IUPAC2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC2CCCN(c3nccs3)C2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-24-17-6-4-15(5-7-17)8-12-26(22,23)20-13-16-3-2-10-21(14-16)18-19-9-11-25-18/h4-7,9,11,16,20H,2-3,8,10,12-14H2,1H3
InChIKeyUHMLXANDZQXTDU-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.53
Rot. Bonds8

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

2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide (PubChem CID 90621946) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide
PubChem CID90621946
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC2CCCN(c3nccs3)C2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-24-17-6-4-15(5-7-17)8-12-26(22,23)20-13-16-3-2-10-21(14-16)18-19-9-11-25-18/h4-7,9,11,16,20H,2-3,8,10,12-14H2,1H3
InChIKeyUHMLXANDZQXTDU-UHFFFAOYSA-N
XLogP2.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
CID 90597529
methyl 2-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methylsulfamoyl]acetate
CID 90622007
3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621892
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
4-fluoro-3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621908
2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621923
2,6-difluoro-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621915
2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 16888085
1-(3,5-dimethoxyphenyl)-3-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]urea
CID 90621871
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90621953
5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621931

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide (CID 90621946) is 2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCC2CCCN(c3nccs3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide?
The InChIKey is UHMLXANDZQXTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-24-17-6-4-15(5-7-17)8-12-26(22,23)20-13-16-3-2-10-21(14-16)18-19-9-11-25-18/h4-7,9,11,16,20H,2-3,8,10,12-14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide?
2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide has a molecular weight of 395.55 g/mol, XLogP of 2.53, 8 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-3-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 90621946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).