4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C19H20N2O3S2 — CID 7553228

IUPAC4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)cc1
InChIInChI=1S/C19H20N2O3S2/c1-5-26(23,24)15-9-7-14(8-10-15)18(22)20-19-21(4)17-13(3)12(2)6-11-16(17)25-19/h6-11H,5H2,1-4H3/b20-19-
InChIKeyAXKJZLWMBBROTI-VXPUYCOJSA-N
MW388.51 g/mol
LogP3.39
Rot. Bonds3

About 4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 7553228) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID7553228
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)cc1
InChIInChI=1S/C19H20N2O3S2/c1-5-26(23,24)15-9-7-14(8-10-15)18(22)20-19-21(4)17-13(3)12(2)6-11-16(17)25-19/h6-11H,5H2,1-4H3/b20-19-
InChIKeyAXKJZLWMBBROTI-VXPUYCOJSA-N
XLogP3.39
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3345967
2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553153
4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152779
3-(4-methylphenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7519883
3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3474147
N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CID 4595842
2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
methyl 2-(4-ethylsulfonylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 41005226
N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide
CID 4686327
3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16879982
4-ethylsulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 7553245
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-ethylsulfonylbenzamide
CID 41016463

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 7553228) is 4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is CCS(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is AXKJZLWMBBROTI-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-5-26(23,24)15-9-7-14(8-10-15)18(22)20-19-21(4)17-13(3)12(2)6-11-16(17)25-19/h6-11H,5H2,1-4H3/b20-19-.
What are the key properties of 4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 388.51 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 7553228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).