(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide

C26H23FN2O4S — CID 122685772

IUPAC(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1-c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C26H23FN2O4S/c27-21-12-13-24-20(15-21)16-25(33-24)34(31,32)29-14-6-11-23(29)26(30)28-17-19-9-4-5-10-22(19)18-7-2-1-3-8-18/h1-5,7-10,12-13,15-16,23H,6,11,14,17H2,(H,28,30)/t23-/m0/s1
InChIKeyUGHJPKOAGONUCY-QHCPKHFHSA-N
MW478.55 g/mol
LogP4.71
Rot. Bonds6

About (2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide

(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 122685772) has the molecular formula C26H23FN2O4S and a molecular weight of 478.55 g/mol. Its IUPAC name is (2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID122685772
Molecular FormulaC26H23FN2O4S
Molecular Weight478.55 g/mol
Exact Mass478.14
IUPAC Name(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1-c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C26H23FN2O4S/c27-21-12-13-24-20(15-21)16-25(33-24)34(31,32)29-14-6-11-23(29)26(30)28-17-19-9-4-5-10-22(19)18-7-2-1-3-8-18/h1-5,7-10,12-13,15-16,23H,6,11,14,17H2,(H,28,30)/t23-/m0/s1
InChIKeyUGHJPKOAGONUCY-QHCPKHFHSA-N
XLogP4.71
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 122695955
(2S)-1-(1-benzofuran-2-ylsulfonyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 122686202
(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122686085
(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 122685919
(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 122685874
N-[[4-(4-cyanophenyl)-2-pyridinyl]methyl]-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 122696042
N-[[5-(4-cyanophenyl)-3-pyridinyl]methyl]-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 122695963
(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 122686030
N-[[3-[(4-cyanophenyl)methoxy]-5-fluorophenyl]methyl]-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 122695968
(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 122686967
(2S)-N-[[3-ethyl-4-hydroxy-2-oxo-1-[4-(trifluoromethyl)phenyl]-4H-pyrimidin-5-yl]methyl]-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 137434013
(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 118989860

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide (CID 122685772) is (2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1-c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of (2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is UGHJPKOAGONUCY-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H23FN2O4S/c27-21-12-13-24-20(15-21)16-25(33-24)34(31,32)29-14-6-11-23(29)26(30)28-17-19-9-4-5-10-22(19)18-7-2-1-3-8-18/h1-5,7-10,12-13,15-16,23H,6,11,14,17H2,(H,28,30)/t23-/m0/s1.
What are the key properties of (2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122685772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).