1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide

C20H26N2O2S — CID 110413827

IUPAC1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(N2CCC(CNS(=O)(=O)Cc3ccccc3C)C2)cc1
InChIInChI=1S/C20H26N2O2S/c1-16-7-9-20(10-8-16)22-12-11-18(14-22)13-21-25(23,24)15-19-6-4-3-5-17(19)2/h3-10,18,21H,11-15H2,1-2H3
InChIKeyABIMCIZFIUSRLI-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.25
Rot. Bonds6

About 1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide

1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 110413827) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID110413827
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(N2CCC(CNS(=O)(=O)Cc3ccccc3C)C2)cc1
InChIInChI=1S/C20H26N2O2S/c1-16-7-9-20(10-8-16)22-12-11-18(14-22)13-21-25(23,24)15-19-6-4-3-5-17(19)2/h3-10,18,21H,11-15H2,1-2H3
InChIKeyABIMCIZFIUSRLI-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413831
1-(4-chlorophenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413832
1-(2-chlorophenyl)-N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110640625
2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640329
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]ethanesulfonamide
CID 110640732
4-fluoro-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640404
1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887899
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-phenylethanesulfonamide
CID 110640741
4-acetyl-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640429
N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110710274
3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 110413703
1-(2-methylphenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
CID 110294188

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide (CID 110413827) is 1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide is Cc1ccc(N2CCC(CNS(=O)(=O)Cc3ccccc3C)C2)cc1.
What is the InChIKey of 1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is ABIMCIZFIUSRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16-7-9-20(10-8-16)22-12-11-18(14-22)13-21-25(23,24)15-19-6-4-3-5-17(19)2/h3-10,18,21H,11-15H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 110413827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).