N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide

C21H26N2O3S — CID 137461172

IUPACN-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC(=O)N1CC[C@H](NS(C)(=O)=O)[C@@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H26N2O3S/c1-3-21(24)23-13-12-19(22-27(2,25)26)20(23)15-16-8-7-11-18(14-16)17-9-5-4-6-10-17/h4-11,14,19-20,22H,3,12-13,15H2,1-2H3/t19-,20-/m0/s1
InChIKeyPPIKADYCYROTAI-PMACEKPBSA-N
MW386.52 g/mol
LogP2.82
Rot. Bonds6

About N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide

N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 137461172) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide
PubChem CID137461172
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC(=O)N1CC[C@H](NS(C)(=O)=O)[C@@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H26N2O3S/c1-3-21(24)23-13-12-19(22-27(2,25)26)20(23)15-16-8-7-11-18(14-16)17-9-5-4-6-10-17/h4-11,14,19-20,22H,3,12-13,15H2,1-2H3/t19-,20-/m0/s1
InChIKeyPPIKADYCYROTAI-PMACEKPBSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide (CID 137461172) is N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide is CCC(=O)N1CC[C@H](NS(C)(=O)=O)[C@@H]1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is PPIKADYCYROTAI-PMACEKPBSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-21(24)23-13-12-19(22-27(2,25)26)20(23)15-16-8-7-11-18(14-16)17-9-5-4-6-10-17/h4-11,14,19-20,22H,3,12-13,15H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide?
N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 137461172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).