N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide

C23H32FN3O2S — CID 59763347

IUPACN-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide
SMILESCC(C[C@H](N)Cc1ccccc1F)N1CCC[C@H]1CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C23H32FN3O2S/c1-18(14-21(25)15-20-10-5-6-12-23(20)24)27-13-7-11-22(27)16-26-30(28,29)17-19-8-3-2-4-9-19/h2-6,8-10,12,18,21-22,26H,7,11,13-17,25H2,1H3/t18?,21-,22-/m0/s1
InChIKeyGYNOBCXIYIMJKY-VRJTXETASA-N
MW433.59 g/mol
LogP3.06
Rot. Bonds10

About N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide

N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide (PubChem CID 59763347) has the molecular formula C23H32FN3O2S and a molecular weight of 433.59 g/mol. Its IUPAC name is N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide
PubChem CID59763347
Molecular FormulaC23H32FN3O2S
Molecular Weight433.59 g/mol
Exact Mass433.22
IUPAC NameN-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide
SMILESCC(C[C@H](N)Cc1ccccc1F)N1CCC[C@H]1CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C23H32FN3O2S/c1-18(14-21(25)15-20-10-5-6-12-23(20)24)27-13-7-11-22(27)16-26-30(28,29)17-19-8-3-2-4-9-19/h2-6,8-10,12,18,21-22,26H,7,11,13-17,25H2,1H3/t18?,21-,22-/m0/s1
InChIKeyGYNOBCXIYIMJKY-VRJTXETASA-N
XLogP3.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide (CID 59763347) is N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide is CC(C[C@H](N)Cc1ccccc1F)N1CCC[C@H]1CNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is GYNOBCXIYIMJKY-VRJTXETASA-N. The full InChI is InChI=1S/C23H32FN3O2S/c1-18(14-21(25)15-20-10-5-6-12-23(20)24)27-13-7-11-22(27)16-26-30(28,29)17-19-8-3-2-4-9-19/h2-6,8-10,12,18,21-22,26H,7,11,13-17,25H2,1H3/t18?,21-,22-/m0/s1.
What are the key properties of N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide?
N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 433.59 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[(4R)-4-amino-5-(2-fluorophenyl)pentan-2-yl]pyrrolidin-2-yl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 59763347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).