2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide

C19H20N2O3S2 — CID 7523693

IUPAC2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2c(C)cc(C)cc21
InChIInChI=1S/C19H20N2O3S2/c1-4-21-16-11-13(2)10-14(3)18(16)25-19(21)20-17(22)12-26(23,24)15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3/b20-19-
InChIKeyXCMJDJQDVAINDZ-VXPUYCOJSA-N
MW388.51 g/mol
LogP3.24
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide

2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 7523693) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID7523693
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2c(C)cc(C)cc21
InChIInChI=1S/C19H20N2O3S2/c1-4-21-16-11-13(2)10-14(3)18(16)25-19(21)20-17(22)12-26(23,24)15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3/b20-19-
InChIKeyXCMJDJQDVAINDZ-VXPUYCOJSA-N
XLogP3.24
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 40885417
2-(4-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7519858
3-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]propanamide
CID 42387912
ethyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 42387901
2-(2,4-dimethylphenyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42524680
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methoxyphenyl)sulfonylacetamide
CID 41126019
2-(benzenesulfonyl)-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 40697652
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 40849508
3-(benzenesulfonyl)-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7153858
2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16799806
2-(4-ethylsulfonylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41126899
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912424

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 7523693) is 2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide is CCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2c(C)cc(C)cc21.
What is the InChIKey of 2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is XCMJDJQDVAINDZ-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-4-21-16-11-13(2)10-14(3)18(16)25-19(21)20-17(22)12-26(23,24)15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3/b20-19-.
What are the key properties of 2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 388.51 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 7523693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).