2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide

C26H27N3O7S2 — CID 100528118

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C26H27N3O7S2/c1-5-36-19-9-7-18(8-10-19)29(38(32,33)20-11-13-22(34-3)23(15-20)35-4)16-25(30)27-17-6-12-21-24(14-17)37-26(31)28(21)2/h6-15H,5,16H2,1-4H3,(H,27,30)
InChIKeyJGIAWDUSGUYTIF-UHFFFAOYSA-N
MW557.65 g/mol
LogP3.85
Rot. Bonds10

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide (PubChem CID 100528118) has the molecular formula C26H27N3O7S2 and a molecular weight of 557.65 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
PubChem CID100528118
Molecular FormulaC26H27N3O7S2
Molecular Weight557.65 g/mol
Exact Mass557.13
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C26H27N3O7S2/c1-5-36-19-9-7-18(8-10-19)29(38(32,33)20-11-13-22(34-3)23(15-20)35-4)16-25(30)27-17-6-12-21-24(14-17)37-26(31)28(21)2/h6-15H,5,16H2,1-4H3,(H,27,30)
InChIKeyJGIAWDUSGUYTIF-UHFFFAOYSA-N
XLogP3.85
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.65
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)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

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(4-ethoxyphenyl)acetamide
CID 53280603
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 53280565
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100539551
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methoxyphenyl)acetamide
CID 53280585
methyl 4-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate
CID 2958057
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100552529
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100540537
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1129944
N-[4-(cyanomethyl)phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1278436
ethyl 4-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]benzoate
CID 126033400
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502251
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100551973

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide (CID 100528118) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide is CCOc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is JGIAWDUSGUYTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O7S2/c1-5-36-19-9-7-18(8-10-19)29(38(32,33)20-11-13-22(34-3)23(15-20)35-4)16-25(30)27-17-6-12-21-24(14-17)37-26(31)28(21)2/h6-15H,5,16H2,1-4H3,(H,27,30).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 557.65 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 100528118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).