2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide

C17H23N3O3S2 — CID 90621923

IUPAC2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCC1CCCN(c2nccs2)C1
InChIInChI=1S/C17H23N3O3S2/c1-2-23-15-7-3-4-8-16(15)25(21,22)19-12-14-6-5-10-20(13-14)17-18-9-11-24-17/h3-4,7-9,11,14,19H,2,5-6,10,12-13H2,1H3
InChIKeyRAISINBXEDCQMF-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.74
Rot. Bonds7

About 2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide

2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 90621923) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
PubChem CID90621923
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCC1CCCN(c2nccs2)C1
InChIInChI=1S/C17H23N3O3S2/c1-2-23-15-7-3-4-8-16(15)25(21,22)19-12-14-6-5-10-20(13-14)17-18-9-11-24-17/h3-4,7-9,11,14,19H,2,5-6,10,12-13H2,1H3
InChIKeyRAISINBXEDCQMF-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621931
2,6-difluoro-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621915
3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621892
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90621953
2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108159
4-fluoro-3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621908
methyl 2-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methylsulfamoyl]acetate
CID 90622007
3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 90621895
2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 90621946
4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 121145108
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
2-ethoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813138

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide (CID 90621923) is 2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide is CCOc1ccccc1S(=O)(=O)NCC1CCCN(c2nccs2)C1.
What is the InChIKey of 2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is RAISINBXEDCQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-2-23-15-7-3-4-8-16(15)25(21,22)19-12-14-6-5-10-20(13-14)17-18-9-11-24-17/h3-4,7-9,11,14,19H,2,5-6,10,12-13H2,1H3.
What are the key properties of 2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 381.52 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90621923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).