N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide

C19H20N2O3S2 — CID 7524955

IUPACN-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide
SMILESCCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(C)c(C)cc21
InChIInChI=1S/C19H20N2O3S2/c1-5-21-16-10-12(2)13(3)11-17(16)25-19(21)20-18(22)14-6-8-15(9-7-14)26(4,23)24/h6-11H,5H2,1-4H3/b20-19-
InChIKeyUTJDKLAWCDKHPP-VXPUYCOJSA-N
MW388.51 g/mol
LogP3.48
Rot. Bonds3

About N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide

N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide (PubChem CID 7524955) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide
PubChem CID7524955
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide
SMILESCCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(C)c(C)cc21
InChIInChI=1S/C19H20N2O3S2/c1-5-21-16-10-12(2)13(3)11-17(16)25-19(21)20-18(22)14-6-8-15(9-7-14)26(4,23)24/h6-11H,5H2,1-4H3/b20-19-
InChIKeyUTJDKLAWCDKHPP-VXPUYCOJSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide
CID 41149159
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide
CID 40697761
4-(diethylsulfamoyl)-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047893
4-benzoyl-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979739
4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047991
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-ethylsulfonylbenzamide
CID 41016463
3-chloro-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047892
N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41048061
4-(azepan-1-ylsulfonyl)-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41048074
N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonylbenzamide
CID 41149172
4-methylsulfonyl-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 16799709
4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41048065

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide?
The IUPAC name of N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide (CID 7524955) is N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide is CCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(C)c(C)cc21.
What is the InChIKey of N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide?
The InChIKey is UTJDKLAWCDKHPP-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-5-21-16-10-12(2)13(3)11-17(16)25-19(21)20-18(22)14-6-8-15(9-7-14)26(4,23)24/h6-11H,5H2,1-4H3/b20-19-.
What are the key properties of N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide?
N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide has a molecular weight of 388.51 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide is sourced from PubChem (CID 7524955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).