N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide

C23H27FN2O3S — CID 137460750

IUPACN-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide
SMILESO=C(C1CCC1)N1CC[C@H](NS(=O)(=O)CF)[C@@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H27FN2O3S/c24-16-30(28,29)25-21-12-13-26(23(27)19-9-5-10-19)22(21)15-17-6-4-11-20(14-17)18-7-2-1-3-8-18/h1-4,6-8,11,14,19,21-22,25H,5,9-10,12-13,15-16H2/t21-,22-/m0/s1
InChIKeyPGJGUIRUBFRDRU-VXKWHMMOSA-N
MW430.55 g/mol
LogP3.51
Rot. Bonds7

About N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide

N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide (PubChem CID 137460750) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide
PubChem CID137460750
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC NameN-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide
SMILESO=C(C1CCC1)N1CC[C@H](NS(=O)(=O)CF)[C@@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H27FN2O3S/c24-16-30(28,29)25-21-12-13-26(23(27)19-9-5-10-19)22(21)15-17-6-4-11-20(14-17)18-7-2-1-3-8-18/h1-4,6-8,11,14,19,21-22,25H,5,9-10,12-13,15-16H2/t21-,22-/m0/s1
InChIKeyPGJGUIRUBFRDRU-VXKWHMMOSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Firazorexton
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N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)methanesulfonamide
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2-[3-(Methanesulfonylamino-methyl)-phenyl]-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
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CID 118722422
1-((E)-2-Phenyl-ethenesulfonyl)-pyrrolidine-2-carboxylic acid (3-phenyl-propyl)-amide
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1-((E)-2-Phenyl-ethenesulfonyl)-pyrrolidine-2-carboxylic acid phenethyl-amide
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1-(2-Phenyl-ethanesulfonyl)-pyrrolidine-2-carboxylic acid phenethyl-amide
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N-(3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl)methanesulfonamide
CID 71784608
N~1~-[rel-(3R,4S)-1-(cyclopropylmethyl)-4-phenyl-3-pyrrolidinyl]-N~2~-(methylsulfonyl)glycinamide hydrochloride
CID 72842364
2-(4-fluoro-2-methylphenyl)-N-[(3R*,4S*)-1-(methylsulfonyl)-4-propyl-3-pyrrolidinyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide?
The IUPAC name of N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide (CID 137460750) is N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide.
What is the SMILES notation for N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide?
The canonical SMILES for N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide is O=C(C1CCC1)N1CC[C@H](NS(=O)(=O)CF)[C@@H]1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide?
The InChIKey is PGJGUIRUBFRDRU-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c24-16-30(28,29)25-21-12-13-26(23(27)19-9-5-10-19)22(21)15-17-6-4-11-20(14-17)18-7-2-1-3-8-18/h1-4,6-8,11,14,19,21-22,25H,5,9-10,12-13,15-16H2/t21-,22-/m0/s1.
What are the key properties of N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide?
N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide has a molecular weight of 430.55 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]-1-fluoromethanesulfonamide is sourced from PubChem (CID 137460750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).