N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C14H22ClN3O3S — CID 119815905

IUPACN-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)CC2CCCN2)c1C.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10-12(6-3-7-13(10)21(19,20)15-2)17-14(18)9-11-5-4-8-16-11;/h3,6-7,11,15-16H,4-5,8-9H2,1-2H3,(H,17,18);1H
InChIKeyOFBGJXLLZZTFCA-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.41
Rot. Bonds5

About N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119815905) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119815905
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)CC2CCCN2)c1C.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10-12(6-3-7-13(10)21(19,20)15-2)17-14(18)9-11-5-4-8-16-11;/h3,6-7,11,15-16H,4-5,8-9H2,1-2H3,(H,17,18);1H
InChIKeyOFBGJXLLZZTFCA-UHFFFAOYSA-N
XLogP1.41
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61365433
N-(2-methyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119844533
N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119693731
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689597
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715827
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[2-(4-methylphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119680419
4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 119342097
N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119876328
N,5-dimethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119800275
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119815905) is N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CNS(=O)(=O)c1cccc(NC(=O)CC2CCCN2)c1C.Cl.
What is the InChIKey of N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is OFBGJXLLZZTFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-10-12(6-3-7-13(10)21(19,20)15-2)17-14(18)9-11-5-4-8-16-11;/h3,6-7,11,15-16H,4-5,8-9H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119815905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).