N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride

C14H21ClN4O4S — CID 119465414

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(NC(=O)CN2CCCC2=O)c1
InChIInChI=1S/C14H20N4O4S.ClH/c15-6-7-16-23(21,22)12-4-1-3-11(9-12)17-13(19)10-18-8-2-5-14(18)20;/h1,3-4,9,16H,2,5-8,10,15H2,(H,17,19);1H
InChIKeyGRNALWKXNJSZTB-UHFFFAOYSA-N
MW376.87 g/mol
LogP-0.09
Rot. Bonds7

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride (PubChem CID 119465414) has the molecular formula C14H21ClN4O4S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
PubChem CID119465414
Molecular FormulaC14H21ClN4O4S
Molecular Weight376.87 g/mol
Exact Mass376.10
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(NC(=O)CN2CCCC2=O)c1
InChIInChI=1S/C14H20N4O4S.ClH/c15-6-7-16-23(21,22)12-4-1-3-11(9-12)17-13(19)10-18-8-2-5-14(18)20;/h1,3-4,9,16H,2,5-8,10,15H2,(H,17,19);1H
InChIKeyGRNALWKXNJSZTB-UHFFFAOYSA-N
XLogP-0.09
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119465925
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119465990
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372
3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide
CID 110722868
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119466007

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride (CID 119465414) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride is Cl.NCCNS(=O)(=O)c1cccc(NC(=O)CN2CCCC2=O)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride?
The InChIKey is GRNALWKXNJSZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S.ClH/c15-6-7-16-23(21,22)12-4-1-3-11(9-12)17-13(19)10-18-8-2-5-14(18)20;/h1,3-4,9,16H,2,5-8,10,15H2,(H,17,19);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride has a molecular weight of 376.87 g/mol, XLogP of -0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119465414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).