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

C25H24N2O3S2 — CID 108782450

IUPAC4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(-c3nc(-c4ccc(C)cc4)cs3)cc2)cc1
InChIInChI=1S/C25H24N2O3S2/c1-3-30-22-12-14-23(15-13-22)32(28,29)26-16-19-6-10-21(11-7-19)25-27-24(17-31-25)20-8-4-18(2)5-9-20/h4-15,17,26H,3,16H2,1-2H3
InChIKeyNODDDZTZJXLWTK-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.66
Rot. Bonds8

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

4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide (PubChem CID 108782450) has the molecular formula C25H24N2O3S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide
PubChem CID108782450
Molecular FormulaC25H24N2O3S2
Molecular Weight464.61 g/mol
Exact Mass464.12
IUPAC Name4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(-c3nc(-c4ccc(C)cc4)cs3)cc2)cc1
InChIInChI=1S/C25H24N2O3S2/c1-3-30-22-12-14-23(15-13-22)32(28,29)26-16-19-6-10-21(11-7-19)25-27-24(17-31-25)20-8-4-18(2)5-9-20/h4-15,17,26H,3,16H2,1-2H3
InChIKeyNODDDZTZJXLWTK-UHFFFAOYSA-N
XLogP5.66
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 87032975
4-ethoxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100727124
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 17478229
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
N-[(2S)-4-[4-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750846
4-ethoxy-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 53090380

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide (CID 108782450) is 4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccc(-c3nc(-c4ccc(C)cc4)cs3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide?
The InChIKey is NODDDZTZJXLWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S2/c1-3-30-22-12-14-23(15-13-22)32(28,29)26-16-19-6-10-21(11-7-19)25-27-24(17-31-25)20-8-4-18(2)5-9-20/h4-15,17,26H,3,16H2,1-2H3.
What are the key properties of 4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide?
4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide has a molecular weight of 464.61 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 108782450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).