4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

C24H23N3O3S2 — CID 2152749

IUPAC4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)n(C)c12
InChIInChI=1S/C24H23N3O3S2/c1-17-8-7-11-21-22(17)27(3)24(31-21)25-23(28)19-12-14-20(15-13-19)32(29,30)26(2)16-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3/b25-24-
InChIKeyVSZJLEIMNXNLOT-IZHYLOQSSA-N
MW465.60 g/mol
LogP4.11
Rot. Bonds5

About 4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 2152749) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID2152749
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)n(C)c12
InChIInChI=1S/C24H23N3O3S2/c1-17-8-7-11-21-22(17)27(3)24(31-21)25-23(28)19-12-14-20(15-13-19)32(29,30)26(2)16-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3/b25-24-
InChIKeyVSZJLEIMNXNLOT-IZHYLOQSSA-N
XLogP4.11
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
4-[benzyl(methyl)sulfamoyl]-N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43939447
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947597
methyl 2-[2-[4-[benzyl(methyl)sulfamoyl]benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate
CID 5157273
4-[benzyl(methyl)sulfamoyl]-N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43939445
4-[benzyl(ethyl)sulfamoyl]-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944566
4-[benzyl(methyl)sulfamoyl]-N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944555
4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152779
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121044066
methyl 2-[4-methyl-2-[4-[methyl(phenyl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 41205004
methyl 2-[4-[benzyl(methyl)sulfamoyl]benzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
CID 4183345
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(diethylsulfamoyl)benzamide
CID 41235531

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 2152749) is 4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)n(C)c12.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is VSZJLEIMNXNLOT-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-17-8-7-11-21-22(17)27(3)24(31-21)25-23(28)19-12-14-20(15-13-19)32(29,30)26(2)16-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3/b25-24-.
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 465.60 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 2152749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).