2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C24H26N2O3S — CID 71306428

IUPAC2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccccc1CC(=O)N(c1nc2c(s1)CCCC2)c1ccccc1OC
InChIInChI=1S/C24H26N2O3S/c1-3-29-20-13-7-4-10-17(20)16-23(27)26(19-12-6-8-14-21(19)28-2)24-25-18-11-5-9-15-22(18)30-24/h4,6-8,10,12-14H,3,5,9,11,15-16H2,1-2H3
InChIKeyDFPFRDLZFKMEQU-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.34
Rot. Bonds7

About 2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 71306428) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID71306428
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccccc1CC(=O)N(c1nc2c(s1)CCCC2)c1ccccc1OC
InChIInChI=1S/C24H26N2O3S/c1-3-29-20-13-7-4-10-17(20)16-23(27)26(19-12-6-8-14-21(19)28-2)24-25-18-11-5-9-15-22(18)30-24/h4,6-8,10,12-14H,3,5,9,11,15-16H2,1-2H3
InChIKeyDFPFRDLZFKMEQU-UHFFFAOYSA-N
XLogP5.34
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 70680628
2-(2-methoxyphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 52892901
N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 70698689
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 147193830
N-benzoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 6737488
(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 42278896
3-(4-ethoxy-3-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 3350195
N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 71295783
N-[(2-ethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 2790836
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide
CID 70680626
trans-[2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230381
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 10543379

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 71306428) is 2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is CCOc1ccccc1CC(=O)N(c1nc2c(s1)CCCC2)c1ccccc1OC.
What is the InChIKey of 2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is DFPFRDLZFKMEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-3-29-20-13-7-4-10-17(20)16-23(27)26(19-12-6-8-14-21(19)28-2)24-25-18-11-5-9-15-22(18)30-24/h4,6-8,10,12-14H,3,5,9,11,15-16H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 71306428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).