4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide

C18H25N3O3S2 — CID 110368685

IUPAC4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-2-24-16-6-8-17(9-7-16)26(22,23)19-12-18-20-15(14-25-18)13-21-10-4-3-5-11-21/h6-9,14,19H,2-5,10-13H2,1H3
InChIKeyWTABVEDRZKGLTK-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.01
Rot. Bonds8

About 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide

4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 110368685) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
PubChem CID110368685
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-2-24-16-6-8-17(9-7-16)26(22,23)19-12-18-20-15(14-25-18)13-21-10-4-3-5-11-21/h6-9,14,19H,2-5,10-13H2,1H3
InChIKeyWTABVEDRZKGLTK-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110368668
N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110368671
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359969
4-ethoxy-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 71807436
4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide
CID 30182868
4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
CID 23603672
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide
CID 108783775
4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263634
2,2-dimethyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110368584

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide (CID 110368685) is 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2nc(CN3CCCCC3)cs2)cc1.
What is the InChIKey of 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is WTABVEDRZKGLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-2-24-16-6-8-17(9-7-16)26(22,23)19-12-18-20-15(14-25-18)13-21-10-4-3-5-11-21/h6-9,14,19H,2-5,10-13H2,1H3.
What are the key properties of 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 395.55 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110368685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).