(2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid

C24H24FNO5S — CID 57402485

IUPAC(2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3cccc(F)c3)cc2)cc1)C(=O)O
InChIInChI=1S/C24H24FNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1
InChIKeyKQIHNYZYABCSQP-HSZRJFAPSA-N
MW457.52 g/mol
LogP4.46
Rot. Bonds9

About (2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid

(2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid (PubChem CID 57402485) has the molecular formula C24H24FNO5S and a molecular weight of 457.52 g/mol. Its IUPAC name is (2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
PubChem CID57402485
Molecular FormulaC24H24FNO5S
Molecular Weight457.52 g/mol
Exact Mass457.14
IUPAC Name(2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3cccc(F)c3)cc2)cc1)C(=O)O
InChIInChI=1S/C24H24FNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1
InChIKeyKQIHNYZYABCSQP-HSZRJFAPSA-N
XLogP4.46
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid with MolForge

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Related Compounds

N-({4'-[(4-Isobutyrylphenoxy)methyl]biphenyl-4-Yl}sulfonyl)-D-Valine
CID 11691964
R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid
CID 446165
(2R)-2-[[4-[4-[(3-cyanophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 57395461
Diphenyl Ether Sulfonamide 10
CID 9887536
(3S)-3-({2-[4-(butan-2-yl)phenoxy]benzene}sulfonamido)-4-oxobutanoic acid
CID 23645973
Biphenylsulfonamide carboxylate, 8
CID 24901478
N-[(6-butoxynaphthalen-2-yl)sulfonyl]-D-glutamic acid
CID 16122580
N-[(6-butoxynaphthalen-2-yl)sulfonyl]-L-glutamic acid
CID 16122581
(2R)-2-[[4-[4-[(4-cyanophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 57393746
6-Methoxy-2-(4''-methoxy-biphenyl-4-sulfonylamino)-hex-4-ynoic acid
CID 4478236
(R)-(4-Hydroxy-cyclohexyl)-(4''-methoxy-biphenyl-4-sulfonylamino)-acetic acid
CID 9823395
2-(4''-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-pent-4-ynoic acid
CID 9889190

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid (CID 57402485) is (2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid is CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3cccc(F)c3)cc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid?
The InChIKey is KQIHNYZYABCSQP-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24FNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1.
What are the key properties of (2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid has a molecular weight of 457.52 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[4-[(3-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 57402485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).