N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

C21H21N3O3S — CID 47047752

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc4c(c3)CCN4C(=O)CC)sc2c1
InChIInChI=1S/C21H21N3O3S/c1-3-19(25)24-10-9-13-11-14(5-8-17(13)24)20(26)23-21-22-16-7-6-15(27-4-2)12-18(16)28-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23,26)
InChIKeyFMFGIKKPSZHOQO-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.25
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 47047752) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID47047752
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc4c(c3)CCN4C(=O)CC)sc2c1
InChIInChI=1S/C21H21N3O3S/c1-3-19(25)24-10-9-13-11-14(5-8-17(13)24)20(26)23-21-22-16-7-6-15(27-4-2)12-18(16)28-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23,26)
InChIKeyFMFGIKKPSZHOQO-UHFFFAOYSA-N
XLogP4.25
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 35997003
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 26251688
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
tert-butyl 5-[(6-iodo-1,3-benzothiazol-2-yl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 58454721
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 47047752) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCOc1ccc2nc(NC(=O)c3ccc4c(c3)CCN4C(=O)CC)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is FMFGIKKPSZHOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-19(25)24-10-9-13-11-14(5-8-17(13)24)20(26)23-21-22-16-7-6-15(27-4-2)12-18(16)28-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23,26).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.25, 5 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)-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 47047752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).