3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide

C19H18N2O4S — CID 100547267

IUPAC3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
SMILESCCn1c(=O)sc2cc(NC(=O)CCc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C19H18N2O4S/c1-2-21-14-6-5-13(10-17(14)26-19(21)23)20-18(22)8-4-12-3-7-15-16(9-12)25-11-24-15/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,20,22)
InChIKeyRVNWDFWDRSMMII-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.38
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide (PubChem CID 100547267) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
PubChem CID100547267
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
SMILESCCn1c(=O)sc2cc(NC(=O)CCc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C19H18N2O4S/c1-2-21-14-6-5-13(10-17(14)26-19(21)23)20-18(22)8-4-12-3-7-15-16(9-12)25-11-24-15/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,20,22)
InChIKeyRVNWDFWDRSMMII-UHFFFAOYSA-N
XLogP3.38
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 100545172
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100540370
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 46352529
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100541059
3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 17421203
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 22577353
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100547326
N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609804
3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide (CID 100547267) is 3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide is CCn1c(=O)sc2cc(NC(=O)CCc3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is RVNWDFWDRSMMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-2-21-14-6-5-13(10-17(14)26-19(21)23)20-18(22)8-4-12-3-7-15-16(9-12)25-11-24-15/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,20,22).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 370.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 100547267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).