3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

C20H22N2O4S — CID 26707945

IUPAC3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCOc1ccc2nc(NC(=O)CCc3cc(OC)cc(OC)c3)sc2c1
InChIInChI=1S/C20H22N2O4S/c1-4-26-14-6-7-17-18(12-14)27-20(21-17)22-19(23)8-5-13-9-15(24-2)11-16(10-13)25-3/h6-7,9-12H,4-5,8H2,1-3H3,(H,21,22,23)
InChIKeyNRVJJFSLZOECEG-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.28
Rot. Bonds8

About 3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 26707945) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID26707945
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCOc1ccc2nc(NC(=O)CCc3cc(OC)cc(OC)c3)sc2c1
InChIInChI=1S/C20H22N2O4S/c1-4-26-14-6-7-17-18(12-14)27-20(21-17)22-19(23)8-5-13-9-15(24-2)11-16(10-13)25-3/h6-7,9-12H,4-5,8H2,1-3H3,(H,21,22,23)
InChIKeyNRVJJFSLZOECEG-UHFFFAOYSA-N
XLogP4.28
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 46665605
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
3-(3-chloro-4-methoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 167848378
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 107907240
4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
CID 120558679
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509
N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226248
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
3-(4-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 108747725

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide (CID 26707945) is 3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide is CCOc1ccc2nc(NC(=O)CCc3cc(OC)cc(OC)c3)sc2c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is NRVJJFSLZOECEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-4-26-14-6-7-17-18(12-14)27-20(21-17)22-19(23)8-5-13-9-15(24-2)11-16(10-13)25-3/h6-7,9-12H,4-5,8H2,1-3H3,(H,21,22,23).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide?
3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 386.47 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 26707945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).