4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C24H23N3O3S2 — CID 2152779

IUPAC4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1ccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n(C)c2c1C
InChIInChI=1S/C24H23N3O3S2/c1-16-10-15-21-22(17(16)2)26(3)24(31-21)25-23(28)18-11-13-20(14-12-18)32(29,30)27(4)19-8-6-5-7-9-19/h5-15H,1-4H3/b25-24-
InChIKeySXAWMXPDIOMZKR-IZHYLOQSSA-N
MW465.60 g/mol
LogP4.42
Rot. Bonds4

About 4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 2152779) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID2152779
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1ccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n(C)c2c1C
InChIInChI=1S/C24H23N3O3S2/c1-16-10-15-21-22(17(16)2)26(3)24(31-21)25-23(28)18-11-13-20(14-12-18)32(29,30)27(4)19-8-6-5-7-9-19/h5-15H,1-4H3/b25-24-
InChIKeySXAWMXPDIOMZKR-IZHYLOQSSA-N
XLogP4.42
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553228
N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CID 4595842
N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3348543
methyl 2-[4-methyl-2-[4-[methyl(phenyl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 41205004
4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3345967
4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152749
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2152656
2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3689180
N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3331205
N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 40888516
ethyl 2-[4-methoxy-2-[4-[methyl(phenyl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 43941779

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 2152779) is 4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1ccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n(C)c2c1C.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is SXAWMXPDIOMZKR-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-16-10-15-21-22(17(16)2)26(3)24(31-21)25-23(28)18-11-13-20(14-12-18)32(29,30)27(4)19-8-6-5-7-9-19/h5-15H,1-4H3/b25-24-.
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 465.60 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 2152779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).