N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide

C19H20N2O3S — CID 46665605

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
SMILESCCOc1ccc2nc(NC(=O)CCc3cccc(OC)c3)sc2c1
InChIInChI=1S/C19H20N2O3S/c1-3-24-15-8-9-16-17(12-15)25-19(20-16)21-18(22)10-7-13-5-4-6-14(11-13)23-2/h4-6,8-9,11-12H,3,7,10H2,1-2H3,(H,20,21,22)
InChIKeyLLEPIVDWJXOPBL-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.27
Rot. Bonds7

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide (PubChem CID 46665605) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
PubChem CID46665605
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
SMILESCCOc1ccc2nc(NC(=O)CCc3cccc(OC)c3)sc2c1
InChIInChI=1S/C19H20N2O3S/c1-3-24-15-8-9-16-17(12-15)25-19(20-16)21-18(22)10-7-13-5-4-6-14(11-13)23-2/h4-6,8-9,11-12H,3,7,10H2,1-2H3,(H,20,21,22)
InChIKeyLLEPIVDWJXOPBL-UHFFFAOYSA-N
XLogP4.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 26707945
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226248
3-(3-chloro-4-methoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 167848378
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7948419
N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289848
2-(3-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 16551900
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide (CID 46665605) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide is CCOc1ccc2nc(NC(=O)CCc3cccc(OC)c3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide?
The InChIKey is LLEPIVDWJXOPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-24-15-8-9-16-17(12-15)25-19(20-16)21-18(22)10-7-13-5-4-6-14(11-13)23-2/h4-6,8-9,11-12H,3,7,10H2,1-2H3,(H,20,21,22).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide has a molecular weight of 356.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 46665605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).