1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide

C21H28N2O2S — CID 110403948

IUPAC1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C21H28N2O2S/c1-18-9-5-6-12-20(18)17-26(24,25)22-16-21(23-13-7-8-14-23)15-19-10-3-2-4-11-19/h2-6,9-12,21-22H,7-8,13-17H2,1H3
InChIKeyKUYHZAXKEBVZAS-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.12
Rot. Bonds8

About 1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide

1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide (PubChem CID 110403948) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide
PubChem CID110403948
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C21H28N2O2S/c1-18-9-5-6-12-20(18)17-26(24,25)22-16-21(23-13-7-8-14-23)15-19-10-3-2-4-11-19/h2-6,9-12,21-22H,7-8,13-17H2,1H3
InChIKeyKUYHZAXKEBVZAS-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonic Acid Ethylamide
CID 23649185
2-(2-Phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51360667
N-((3R,4R)-4-(4''-cyanobiphenyl-4-yl)-1-ethylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11689802
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-propylbenzenesulfonamide
CID 24885663
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-propan-2-ylbenzenesulfonamide
CID 24885664
3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-propan-2-ylbenzenesulfonamide
CID 44254050
N-ethyl-3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 44254134
1-(benzylsulfonyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 1151771
1-Ethylsulfonyl-4-(4-phenylbutan-2-yl)piperazine
CID 2902684
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-methanesulfonamide
CID 44578266
Ethanesulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578267
Propane-1-sulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578268

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide (CID 110403948) is 1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCC(Cc1ccccc1)N1CCCC1.
What is the InChIKey of 1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide?
The InChIKey is KUYHZAXKEBVZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-18-9-5-6-12-20(18)17-26(24,25)22-16-21(23-13-7-8-14-23)15-19-10-3-2-4-11-19/h2-6,9-12,21-22H,7-8,13-17H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide?
1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 110403948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).