N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide

C15H23N3O3S — CID 119723698

IUPACN-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O3S/c19-15(11-14-7-4-8-16-14)17-9-10-22(20,21)18-12-13-5-2-1-3-6-13/h1-3,5-6,14,16,18H,4,7-12H2,(H,17,19)
InChIKeyUMWNUIOLBLLNTB-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.36
Rot. Bonds8

About N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide

N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119723698) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119723698
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O3S/c19-15(11-14-7-4-8-16-14)17-9-10-22(20,21)18-12-13-5-2-1-3-6-13/h1-3,5-6,14,16,18H,4,7-12H2,(H,17,19)
InChIKeyUMWNUIOLBLLNTB-UHFFFAOYSA-N
XLogP0.36
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzylsulfamoyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119723679
N-(2,3-diphenylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119803974
N-[2-(propan-2-ylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119758912
2-pyrrolidin-2-yl-N-(2-sulfamoylethyl)acetamide
CID 61371209
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
CID 119974202
N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119739702
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
N-[2-(dimethylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106337483
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119816657
N-[2-[benzyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119885733
2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide
CID 119703587

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 119723698) is N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCCS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is UMWNUIOLBLLNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c19-15(11-14-7-4-8-16-14)17-9-10-22(20,21)18-12-13-5-2-1-3-6-13/h1-3,5-6,14,16,18H,4,7-12H2,(H,17,19).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 325.43 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119723698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).