2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide

C19H20N2O4S2 — CID 18587083

IUPAC2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1
InChIInChI=1S/C19H20N2O4S2/c1-4-27(23,24)14-8-6-13(7-9-14)11-16(22)20-19-21-17-15(25-3)10-5-12(2)18(17)26-19/h5-10H,4,11H2,1-3H3,(H,20,21,22)
InChIKeyPEKCXVJSSRMTTF-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.59
Rot. Bonds6

About 2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide

2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 18587083) has the molecular formula C19H20N2O4S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID18587083
Molecular FormulaC19H20N2O4S2
Molecular Weight404.51 g/mol
Exact Mass404.09
IUPAC Name2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1
InChIInChI=1S/C19H20N2O4S2/c1-4-27(23,24)14-8-6-13(7-9-14)11-16(22)20-19-21-17-15(25-3)10-5-12(2)18(17)26-19/h5-10H,4,11H2,1-3H3,(H,20,21,22)
InChIKeyPEKCXVJSSRMTTF-UHFFFAOYSA-N
XLogP3.59
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 18586958
2-(4-ethylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16824377
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139655
2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41145754
2-(4-ethylsulfonylphenyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 41145749
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41145800
2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18573121
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848238
2-(4-ethoxyphenoxy)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43988981
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151739
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 18587080
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 41145874

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide (CID 18587083) is 2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PEKCXVJSSRMTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S2/c1-4-27(23,24)14-8-6-13(7-9-14)11-16(22)20-19-21-17-15(25-3)10-5-12(2)18(17)26-19/h5-10H,4,11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 18587083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).