2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide

C19H20N2O3S — CID 30152451

IUPAC2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide
SMILESCCc1nc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2s1
InChIInChI=1S/C19H20N2O3S/c1-4-19-21-14-7-6-13(11-17(14)25-19)20-18(22)10-12-5-8-15(23-2)16(9-12)24-3/h5-9,11H,4,10H2,1-3H3,(H,20,22)
InChIKeyQFJNCCDNXPSLMH-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.06
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 30152451) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID30152451
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide
SMILESCCc1nc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2s1
InChIInChI=1S/C19H20N2O3S/c1-4-19-21-14-7-6-13(11-17(14)25-19)20-18(22)10-12-5-8-15(23-2)16(9-12)24-3/h5-9,11H,4,10H2,1-3H3,(H,20,22)
InChIKeyQFJNCCDNXPSLMH-UHFFFAOYSA-N
XLogP4.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 8873943
2-(3,4-dimethoxyphenyl)-N-(6-iodo-1,3-benzothiazol-2-yl)acetamide
CID 74223661
N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772778
methyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 28558079
5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11855386
2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
CID 17470104
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 4823927
2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
CID 38236695
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide (CID 30152451) is 2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide is CCc1nc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2s1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is QFJNCCDNXPSLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-4-19-21-14-7-6-13(11-17(14)25-19)20-18(22)10-12-5-8-15(23-2)16(9-12)24-3/h5-9,11H,4,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 30152451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).