N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C14H22ClN3O3S — CID 119711145

IUPACN-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-2-21(19,20)17-12-7-5-11(6-8-12)16-14(18)10-13-4-3-9-15-13;/h5-8,13,15,17H,2-4,9-10H2,1H3,(H,16,18);1H
InChIKeyGFMULCDVMOOQCS-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.95
Rot. Bonds6

About N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119711145) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119711145
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-2-21(19,20)17-12-7-5-11(6-8-12)16-14(18)10-13-4-3-9-15-13;/h5-8,13,15,17H,2-4,9-10H2,1H3,(H,16,18);1H
InChIKeyGFMULCDVMOOQCS-UHFFFAOYSA-N
XLogP1.95
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800516
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363717
N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119740098
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
N-[4-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366412

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119711145) is N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CCS(=O)(=O)Nc1ccc(NC(=O)CC2CCCN2)cc1.Cl.
What is the InChIKey of N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is GFMULCDVMOOQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-2-21(19,20)17-12-7-5-11(6-8-12)16-14(18)10-13-4-3-9-15-13;/h5-8,13,15,17H,2-4,9-10H2,1H3,(H,16,18);1H.
What are the key properties of N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119711145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).