(2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid

C20H14F3NO4S — CID 11327633

IUPAC(2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C20H14F3NO4S/c21-20(22,23)28-15-8-6-12(7-9-15)14-10-16(29-11-14)18(25)24-17(19(26)27)13-4-2-1-3-5-13/h1-11,17H,(H,24,25)(H,26,27)/t17-/m1/s1
InChIKeyQSXWMSOERGLVDJ-QGZVFWFLSA-N
MW421.40 g/mol
LogP4.87
Rot. Bonds6

About (2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid

(2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid (PubChem CID 11327633) has the molecular formula C20H14F3NO4S and a molecular weight of 421.40 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid
PubChem CID11327633
Molecular FormulaC20H14F3NO4S
Molecular Weight421.40 g/mol
Exact Mass421.06
IUPAC Name(2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C20H14F3NO4S/c21-20(22,23)28-15-8-6-12(7-9-15)14-10-16(29-11-14)18(25)24-17(19(26)27)13-4-2-1-3-5-13/h1-11,17H,(H,24,25)(H,26,27)/t17-/m1/s1
InChIKeyQSXWMSOERGLVDJ-QGZVFWFLSA-N
XLogP4.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid with MolForge

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Related Compounds

5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid
CID 59983755
methyl (5R)-5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoate
CID 11179045
(2R)-2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 29140347
(2R)-2-phenyl-2-[[2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29134792
2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 63703455
ethyl 4-[[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]methyl]benzoate
CID 10049366
ethyl 7-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]heptanoate
CID 10094930
2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 134633857
2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 122534355
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
(2S)-2-amino-2-[4-(5-methoxycarbonylthiophen-3-yl)phenyl]acetic acid
CID 66513184
2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807454

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid?
The IUPAC name of (2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid (CID 11327633) is (2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of (2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid?
The InChIKey is QSXWMSOERGLVDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H14F3NO4S/c21-20(22,23)28-15-8-6-12(7-9-15)14-10-16(29-11-14)18(25)24-17(19(26)27)13-4-2-1-3-5-13/h1-11,17H,(H,24,25)(H,26,27)/t17-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid?
(2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid has a molecular weight of 421.40 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 11327633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).