N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

C25H25N3O5S2 — CID 2336509

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCCOc1ccc2nc(NC(=O)COc3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)sc2c1
InChIInChI=1S/C25H25N3O5S2/c1-4-32-20-11-14-22-23(15-20)34-25(26-22)27-24(29)16-33-19-9-7-18(8-10-19)28(3)35(30,31)21-12-5-17(2)6-13-21/h5-15H,4,16H2,1-3H3,(H,26,27,29)
InChIKeyYAFSSDABFKYUQC-UHFFFAOYSA-N
MW511.63 g/mol
LogP4.85
Rot. Bonds9

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 2336509) has the molecular formula C25H25N3O5S2 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID2336509
Molecular FormulaC25H25N3O5S2
Molecular Weight511.63 g/mol
Exact Mass511.12
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCCOc1ccc2nc(NC(=O)COc3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)sc2c1
InChIInChI=1S/C25H25N3O5S2/c1-4-32-20-11-14-22-23(15-20)34-25(26-22)27-24(29)16-33-19-9-7-18(8-10-19)28(3)35(30,31)21-12-5-17(2)6-13-21/h5-15H,4,16H2,1-3H3,(H,26,27,29)
InChIKeyYAFSSDABFKYUQC-UHFFFAOYSA-N
XLogP4.85
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide 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

N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548582
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)phenoxy]-N-(benzothiazol-2-yl)acetamide (3i)
CID 46947464
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-{4-[(2-methanesulfonamido-1,3-benzothiazol-6-yl)oxy]phenyl}urea
CID 10230609
2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 3534311
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide
CID 9551081
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 652526
N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-phenoxyacetamide
CID 658973
N-(4-ethoxybenzo[d]thiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 3543750
N-(6-(3-(4-methoxyphenylsulfonamido)phenyl)benzo[d]thiazol-2-yl)acetamide
CID 51354595
1-(4-Methoxyphenyl)-3-[4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]phenyl]urea
CID 137633471

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (CID 2336509) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is CCOc1ccc2nc(NC(=O)COc3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is YAFSSDABFKYUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S2/c1-4-32-20-11-14-22-23(15-20)34-25(26-22)27-24(29)16-33-19-9-7-18(8-10-19)28(3)35(30,31)21-12-5-17(2)6-13-21/h5-15H,4,16H2,1-3H3,(H,26,27,29).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 511.63 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 2336509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).