N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide

C20H26N2O2S — CID 44578270

IUPACN-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCN(C)C1
InChIInChI=1S/C20H26N2O2S/c1-3-25(23,24)22(19-13-14-21(2)16-19)15-18-11-7-8-12-20(18)17-9-5-4-6-10-17/h4-12,19H,3,13-16H2,1-2H3/t19-/m0/s1
InChIKeyFRXKHOISTFCGOP-IBGZPJMESA-N
MW358.51 g/mol
LogP3.21
Rot. Bonds6

About N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide

N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide (PubChem CID 44578270) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide
PubChem CID44578270
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCN(C)C1
InChIInChI=1S/C20H26N2O2S/c1-3-25(23,24)22(19-13-14-21(2)16-19)15-18-11-7-8-12-20(18)17-9-5-4-6-10-17/h4-12,19H,3,13-16H2,1-2H3/t19-/m0/s1
InChIKeyFRXKHOISTFCGOP-IBGZPJMESA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide (CID 44578270) is N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCN(C)C1.
What is the InChIKey of N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide?
The InChIKey is FRXKHOISTFCGOP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-3-25(23,24)22(19-13-14-21(2)16-19)15-18-11-7-8-12-20(18)17-9-5-4-6-10-17/h4-12,19H,3,13-16H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide?
N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 44578270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).