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

C18H25N3O3S2 — CID 110368668

IUPAC4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc(CN3CCCCC3)cs2)c(C)c1
InChIInChI=1S/C18H25N3O3S2/c1-14-10-16(24-2)6-7-17(14)26(22,23)19-11-18-20-15(13-25-18)12-21-8-4-3-5-9-21/h6-7,10,13,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyODDRVECEHFECFM-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.92
Rot. Bonds7

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

4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 110368668) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
PubChem CID110368668
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc(CN3CCCCC3)cs2)c(C)c1
InChIInChI=1S/C18H25N3O3S2/c1-14-10-16(24-2)6-7-17(14)26(22,23)19-11-18-20-15(13-25-18)12-21-8-4-3-5-9-21/h6-7,10,13,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyODDRVECEHFECFM-UHFFFAOYSA-N
XLogP2.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110368685
4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47319452
N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110368671
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110728011
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
4-amino-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126624
4-(4-methoxy-2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566831
4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide
CID 126823335
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359969
4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943293

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide (CID 110368668) is 4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nc(CN3CCCCC3)cs2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is ODDRVECEHFECFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-14-10-16(24-2)6-7-17(14)26(22,23)19-11-18-20-15(13-25-18)12-21-8-4-3-5-9-21/h6-7,10,13,19H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 395.55 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110368668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).