N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide

C21H28N2O2S — CID 112506478

IUPACN-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
SMILESCc1ccccc1C(CNS(=O)(=O)CCc1ccccc1)N1CCCC1
InChIInChI=1S/C21H28N2O2S/c1-18-9-5-6-12-20(18)21(23-14-7-8-15-23)17-22-26(24,25)16-13-19-10-3-2-4-11-19/h2-6,9-12,21-22H,7-8,13-17H2,1H3
InChIKeyOQZSJGLUDVMYHI-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.29
Rot. Bonds8

About N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide

N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide (PubChem CID 112506478) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
PubChem CID112506478
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
SMILESCc1ccccc1C(CNS(=O)(=O)CCc1ccccc1)N1CCCC1
InChIInChI=1S/C21H28N2O2S/c1-18-9-5-6-12-20(18)21(23-14-7-8-15-23)17-22-26(24,25)16-13-19-10-3-2-4-11-19/h2-6,9-12,21-22H,7-8,13-17H2,1H3
InChIKeyOQZSJGLUDVMYHI-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506670
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
CID 112503410
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 112506471
2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide
CID 110356277
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-phenylethanesulfonamide
CID 43957121
2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide
CID 107651678
1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 110403948
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
CID 60532275
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29238068
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide (CID 112506478) is N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide is Cc1ccccc1C(CNS(=O)(=O)CCc1ccccc1)N1CCCC1.
What is the InChIKey of N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide?
The InChIKey is OQZSJGLUDVMYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-18-9-5-6-12-20(18)21(23-14-7-8-15-23)17-22-26(24,25)16-13-19-10-3-2-4-11-19/h2-6,9-12,21-22H,7-8,13-17H2,1H3.
What are the key properties of N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide?
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 112506478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).