4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide

C24H31N3O7S2 — CID 43938951

IUPAC4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(OC)c3n2CCOC)cc1
InChIInChI=1S/C24H31N3O7S2/c1-31-15-12-26(13-16-32-2)36(29,30)19-10-8-18(9-11-19)23(28)25-24-27(14-17-33-3)22-20(34-4)6-5-7-21(22)35-24/h5-11H,12-17H2,1-4H3/b25-24-
InChIKeyWTSIIDVLZASQQN-IZHYLOQSSA-N
MW537.66 g/mol
LogP2.38
Rot. Bonds13

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide (PubChem CID 43938951) has the molecular formula C24H31N3O7S2 and a molecular weight of 537.66 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
PubChem CID43938951
Molecular FormulaC24H31N3O7S2
Molecular Weight537.66 g/mol
Exact Mass537.16
IUPAC Name4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(OC)c3n2CCOC)cc1
InChIInChI=1S/C24H31N3O7S2/c1-31-15-12-26(13-16-32-2)36(29,30)19-10-8-18(9-11-19)23(28)25-24-27(14-17-33-3)22-20(34-4)6-5-7-21(22)35-24/h5-11H,12-17H2,1-4H3/b25-24-
InChIKeyWTSIIDVLZASQQN-IZHYLOQSSA-N
XLogP2.38
TPSA108.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.66
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[bis(prop-2-enyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 40886653
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 18560809
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide
CID 40888522
4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 2159212
methyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-4-methoxy-1,3-benzothiazol-3-yl]acetate
CID 43942260
4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4252342
ethyl 2-[2-[4-(dipropylsulfamoyl)benzoyl]imino-4-methoxy-1,3-benzothiazol-3-yl]acetate
CID 43941510
2,6-dimethoxy-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 7153141
N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 40888516
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(dipropylsulfamoyl)benzamide
CID 43979241
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5053211
3-methoxy-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 7152892

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?
The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide (CID 43938951) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(OC)c3n2CCOC)cc1.
What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?
The InChIKey is WTSIIDVLZASQQN-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H31N3O7S2/c1-31-15-12-26(13-16-32-2)36(29,30)19-10-8-18(9-11-19)23(28)25-24-27(14-17-33-3)22-20(34-4)6-5-7-21(22)35-24/h5-11H,12-17H2,1-4H3/b25-24-.
What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?
4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide has a molecular weight of 537.66 g/mol, XLogP of 2.38, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 43938951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).