2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

C21H18N2O3S — CID 43952122

IUPAC2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C21H18N2O3S/c1-3-26-17-11-8-13-6-4-5-7-15(13)19(17)20(24)23-21-22-16-10-9-14(25-2)12-18(16)27-21/h4-12H,3H2,1-2H3,(H,22,23,24)
InChIKeyYRONYOZPXSOPQY-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.11
Rot. Bonds5

About 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 43952122) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
PubChem CID43952122
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C21H18N2O3S/c1-3-26-17-11-8-13-6-4-5-7-15(13)19(17)20(24)23-21-22-16-10-9-14(25-2)12-18(16)27-21/h4-12H,3H2,1-2H3,(H,22,23,24)
InChIKeyYRONYOZPXSOPQY-UHFFFAOYSA-N
XLogP5.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4625982
3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39105513
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 38429837
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxynaphthalene-1-carboxamide
CID 43988802
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
3-(3,4-diethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide
CID 1178463
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (CID 43952122) is 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is YRONYOZPXSOPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-3-26-17-11-8-13-6-4-5-7-15(13)19(17)20(24)23-21-22-16-10-9-14(25-2)12-18(16)27-21/h4-12H,3H2,1-2H3,(H,22,23,24).
What are the key properties of 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 43952122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).