2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide

C21H21N3O2S — CID 112801563

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide
SMILESCCN(C(=O)CNC(C)c1cc2ccccc2o1)c1nc2ccccc2s1
InChIInChI=1S/C21H21N3O2S/c1-3-24(21-23-16-9-5-7-11-19(16)27-21)20(25)13-22-14(2)18-12-15-8-4-6-10-17(15)26-18/h4-12,14,22H,3,13H2,1-2H3
InChIKeyOEHJACTUVNIXKK-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.75
Rot. Bonds6

About 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide

2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide (PubChem CID 112801563) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide
PubChem CID112801563
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide
SMILESCCN(C(=O)CNC(C)c1cc2ccccc2o1)c1nc2ccccc2s1
InChIInChI=1S/C21H21N3O2S/c1-3-24(21-23-16-9-5-7-11-19(16)27-21)20(25)13-22-14(2)18-12-15-8-4-6-10-17(15)26-18/h4-12,14,22H,3,13H2,1-2H3
InChIKeyOEHJACTUVNIXKK-UHFFFAOYSA-N
XLogP4.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4-bromoanilino)-N-ethylacetamide
CID 26552247
N-(1,3-benzothiazol-2-yl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-ethylacetamide
CID 17488385
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115574812
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-methylacetamide
CID 46421732
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 7915812
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 112801557
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide
CID 43215005
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 16559957
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
CID 30797489
N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dichlorophenyl)ethylamino]-N-methylacetamide
CID 78896437
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide (CID 112801563) is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide is CCN(C(=O)CNC(C)c1cc2ccccc2o1)c1nc2ccccc2s1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide?
The InChIKey is OEHJACTUVNIXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-3-24(21-23-16-9-5-7-11-19(16)27-21)20(25)13-22-14(2)18-12-15-8-4-6-10-17(15)26-18/h4-12,14,22H,3,13H2,1-2H3.
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide?
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide has a molecular weight of 379.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(1,3-benzothiazol-2-yl)-N-ethylacetamide is sourced from PubChem (CID 112801563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).