2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide

C18H25N3O5S — CID 119531761

IUPAC2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide
SMILESCCCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C1CCNC1
InChIInChI=1S/C18H25N3O5S/c1-3-8-20(14-6-7-19-12-14)17(22)13-4-5-15-16(11-13)27(24,25)21(18(15)23)9-10-26-2/h4-5,11,14,19H,3,6-10,12H2,1-2H3
InChIKeyQAJXORMCMBXEDW-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.69
Rot. Bonds7

About 2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide

2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide (PubChem CID 119531761) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide
PubChem CID119531761
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide
SMILESCCCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C1CCNC1
InChIInChI=1S/C18H25N3O5S/c1-3-8-20(14-6-7-19-12-14)17(22)13-4-5-15-16(11-13)27(24,25)21(18(15)23)9-10-26-2/h4-5,11,14,19H,3,6-10,12H2,1-2H3
InChIKeyQAJXORMCMBXEDW-UHFFFAOYSA-N
XLogP0.69
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide with MolForge

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Related Compounds

3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
2-[[2-(2-methoxyethyl)-1,1,3-trioxo-1,2-benzothiazole-6-carbonyl]-propan-2-ylamino]acetic acid
CID 120580812
N-methyl-1,1,3-trioxo-2-(oxolan-2-ylmethyl)-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide;hydrochloride
CID 119550211
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyethyl)-N-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 119655124
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532395
2-ethyl-N-(3-methylpiperidin-4-yl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 120557018

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide (CID 119531761) is 2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide is CCCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C1CCNC1.
What is the InChIKey of 2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide?
The InChIKey is QAJXORMCMBXEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-3-8-20(14-6-7-19-12-14)17(22)13-4-5-15-16(11-13)27(24,25)21(18(15)23)9-10-26-2/h4-5,11,14,19H,3,6-10,12H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide?
2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1,1,3-trioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide is sourced from PubChem (CID 119531761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).