2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C18H18N2O4S2 — CID 3244156

IUPAC2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H18N2O4S2/c1-23-15-8-9-16(24-2)17(10-15)26(21,22)19-11-14-12-25-18(20-14)13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3
InChIKeyOSZSWXGXJGRLQV-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.31
Rot. Bonds7

About 2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 3244156) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID3244156
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Name2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H18N2O4S2/c1-23-15-8-9-16(24-2)17(10-15)26(21,22)19-11-14-12-25-18(20-14)13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3
InChIKeyOSZSWXGXJGRLQV-UHFFFAOYSA-N
XLogP3.31
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 3236821
2,5-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 5310239
3-Fluoro-4-methoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-YL)ethyl]benzene-1-sulfonamide
CID 7202333
3,4-Dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-YL)ethyl]benzene-1-sulfonamide
CID 7202338
N-{2-[2-(4-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}-4-methoxybenzene-1-sulfonamide
CID 7522037
3-Fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-YL]ethyl}-4-methoxybenzene-1-sulfonamide
CID 7522047
3,4-dimethoxy-N-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]benzenesulfonamide
CID 9550483
4-Fluoro-N-{[2-(4-methoxyphenyl)-1,3-thiazol-4-YL]methyl}benzene-1-sulfonamide
CID 16012475
4-butoxy-N-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}benzene-1-sulfonamide
CID 16012494
Benzenesulfonamide, N-[[2-[4-[(butylamino)methyl]phenyl]-4-thiazolyl]methyl]-4-methoxy-N-(tetrahydro-2H-pyran-4-yl)-
CID 50915110
N-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 50941635
N-cyclopentyl-4-methoxy-N-[[2-[4-[(2-methylpropylamino)methyl]phenyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 53316694

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 3244156) is 2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is OSZSWXGXJGRLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-23-15-8-9-16(24-2)17(10-15)26(21,22)19-11-14-12-25-18(20-14)13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 390.49 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3244156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).