N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C18H28ClN3O5S — CID 119683547

IUPACN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C18H27N3O5S.ClH/c1-2-26-17-6-5-15(27(23,24)21-8-10-25-11-9-21)13-16(17)20-18(22)12-14-4-3-7-19-14;/h5-6,13-14,19H,2-4,7-12H2,1H3,(H,20,22);1H
InChIKeyTZLUQVCMBSMYSE-UHFFFAOYSA-N
MW433.96 g/mol
LogP1.61
Rot. Bonds7

About N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119683547) has the molecular formula C18H28ClN3O5S and a molecular weight of 433.96 g/mol. Its IUPAC name is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119683547
Molecular FormulaC18H28ClN3O5S
Molecular Weight433.96 g/mol
Exact Mass433.14
IUPAC NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C18H27N3O5S.ClH/c1-2-26-17-6-5-15(27(23,24)21-8-10-25-11-9-21)13-16(17)20-18(22)12-14-4-3-7-19-14;/h5-6,13-14,19H,2-4,7-12H2,1H3,(H,20,22);1H
InChIKeyTZLUQVCMBSMYSE-UHFFFAOYSA-N
XLogP1.61
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119683547) is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1CCCN1.Cl.
What is the InChIKey of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is TZLUQVCMBSMYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S.ClH/c1-2-26-17-6-5-15(27(23,24)21-8-10-25-11-9-21)13-16(17)20-18(22)12-14-4-3-7-19-14;/h5-6,13-14,19H,2-4,7-12H2,1H3,(H,20,22);1H.
What are the key properties of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 433.96 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119683547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).