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

C19H20N2O3S2 — CID 7553153

IUPAC2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)/N=c1\sc2ccc(C)c(C)c2n1C
InChIInChI=1S/C19H20N2O3S2/c1-5-26(23,24)16-9-7-6-8-14(16)18(22)20-19-21(4)17-13(3)12(2)10-11-15(17)25-19/h6-11H,5H2,1-4H3/b20-19-
InChIKeyNZYZFEKTXSDTCF-VXPUYCOJSA-N
MW388.51 g/mol
LogP3.39
Rot. Bonds3

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

2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 7553153) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID7553153
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)/N=c1\sc2ccc(C)c(C)c2n1C
InChIInChI=1S/C19H20N2O3S2/c1-5-26(23,24)16-9-7-6-8-14(16)18(22)20-19-21(4)17-13(3)12(2)10-11-15(17)25-19/h6-11H,5H2,1-4H3/b20-19-
InChIKeyNZYZFEKTXSDTCF-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

2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553228
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonylbenzamide
CID 41004884
2-ethylsulfonyl-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
CID 40697537
4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3345967
4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152779
2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 16848905
3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16879982
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonylbenzamide
CID 41126001
3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3474147
2-ethylsulfonyl-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41004933
ethyl 2-[6-chloro-2-(2-ethylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 42524412

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 7553153) is 2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is CCS(=O)(=O)c1ccccc1C(=O)/N=c1\sc2ccc(C)c(C)c2n1C.
What is the InChIKey of 2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is NZYZFEKTXSDTCF-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-5-26(23,24)16-9-7-6-8-14(16)18(22)20-19-21(4)17-13(3)12(2)10-11-15(17)25-19/h6-11H,5H2,1-4H3/b20-19-.
What are the key properties of 2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
2-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 2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 7553153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).