4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide

C22H26N2O6S2 — CID 25406860

IUPAC4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
SMILESCOCCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2c(OC)ccc(OC)c21
InChIInChI=1S/C22H26N2O6S2/c1-28-14-13-24-20-17(29-2)11-12-18(30-3)21(20)31-22(24)23-19(25)10-7-15-32(26,27)16-8-5-4-6-9-16/h4-6,8-9,11-12H,7,10,13-15H2,1-3H3/b23-22-
InChIKeyVXIHYEXQMDIKBY-FCQUAONHSA-N
MW478.59 g/mol
LogP3.05
Rot. Bonds10

About 4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide

4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide (PubChem CID 25406860) has the molecular formula C22H26N2O6S2 and a molecular weight of 478.59 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
PubChem CID25406860
Molecular FormulaC22H26N2O6S2
Molecular Weight478.59 g/mol
Exact Mass478.12
IUPAC Name4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
SMILESCOCCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2c(OC)ccc(OC)c21
InChIInChI=1S/C22H26N2O6S2/c1-28-14-13-24-20-17(29-2)11-12-18(30-3)21(20)31-22(24)23-19(25)10-7-15-32(26,27)16-8-5-4-6-9-16/h4-6,8-9,11-12H,7,10,13-15H2,1-3H3/b23-22-
InChIKeyVXIHYEXQMDIKBY-FCQUAONHSA-N
XLogP3.05
TPSA96.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide 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-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide
CID 25407391
3-(benzenesulfonyl)-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
CID 42387914
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 25407221
4-benzylsulfonyl-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)butanamide
CID 42558212
N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 25407261
4-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
CID 25407415
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonylbutanamide
CID 41087239
4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]butanamide
CID 25406914
4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]butanamide
CID 25406920
4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide
CID 25406798
N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525066
N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetamide
CID 41149193

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide (CID 25406860) is 4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide is COCCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2c(OC)ccc(OC)c21.
What is the InChIKey of 4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide?
The InChIKey is VXIHYEXQMDIKBY-FCQUAONHSA-N. The full InChI is InChI=1S/C22H26N2O6S2/c1-28-14-13-24-20-17(29-2)11-12-18(30-3)21(20)31-22(24)23-19(25)10-7-15-32(26,27)16-8-5-4-6-9-16/h4-6,8-9,11-12H,7,10,13-15H2,1-3H3/b23-22-.
What are the key properties of 4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide?
4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide has a molecular weight of 478.59 g/mol, XLogP of 3.05, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide is sourced from PubChem (CID 25406860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).