5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid

C23H20F3NO4S — CID 59983755

IUPAC5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCCC(NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1)c1ccccc1
InChIInChI=1S/C23H20F3NO4S/c24-23(25,26)31-18-11-9-15(10-12-18)17-13-20(32-14-17)22(30)27-19(7-4-8-21(28)29)16-5-2-1-3-6-16/h1-3,5-6,9-14,19H,4,7-8H2,(H,27,30)(H,28,29)
InChIKeyCHFHBWOGRXDYPA-UHFFFAOYSA-N
MW463.48 g/mol
LogP6.04
Rot. Bonds9

About 5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid

5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid (PubChem CID 59983755) has the molecular formula C23H20F3NO4S and a molecular weight of 463.48 g/mol. Its IUPAC name is 5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid
PubChem CID59983755
Molecular FormulaC23H20F3NO4S
Molecular Weight463.48 g/mol
Exact Mass463.11
IUPAC Name5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCCC(NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1)c1ccccc1
InChIInChI=1S/C23H20F3NO4S/c24-23(25,26)31-18-11-9-15(10-12-18)17-13-20(32-14-17)22(30)27-19(7-4-8-21(28)29)16-5-2-1-3-6-16/h1-3,5-6,9-14,19H,4,7-8H2,(H,27,30)(H,28,29)
InChIKeyCHFHBWOGRXDYPA-UHFFFAOYSA-N
XLogP6.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.48
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

methyl (5R)-5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoate
CID 11179045
(2R)-2-phenyl-2-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]acetic acid
CID 11327633
ethyl 7-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]heptanoate
CID 10094930
ethyl 4-[[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]methyl]benzoate
CID 10049366
5-[4-[4-(trifluoromethoxy)phenyl]phenyl]pentanoic acid
CID 68891418
methyl N-[4-(2-methylphenyl)-4-oxo-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]butyl]carbamate
CID 20596090
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668
N-(2-bromo-1-phenylethyl)-4-methoxythiophene-2-carboxamide
CID 113274725
3-(4-phenylphenyl)-3-[[6-[4-(trifluoromethoxy)phenoxy]isoquinoline-3-carbonyl]amino]propanoic acid
CID 68868530
3-[[4-[2-phenyl-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid
CID 11851645
4-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-4-phenylbutanoic acid
CID 120518926
[3-[(3-bromobenzoyl)amino]-3-(4-phenylphenyl)propanoyl] 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethoxy)phenyl]benzoyl]amino]propanoate
CID 87878319

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid (CID 59983755) is 5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid is O=C(O)CCCC(NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1)c1ccccc1.
What is the InChIKey of 5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid?
The InChIKey is CHFHBWOGRXDYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO4S/c24-23(25,26)31-18-11-9-15(10-12-18)17-13-20(32-14-17)22(30)27-19(7-4-8-21(28)29)16-5-2-1-3-6-16/h1-3,5-6,9-14,19H,4,7-8H2,(H,27,30)(H,28,29).
What are the key properties of 5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid?
5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid has a molecular weight of 463.48 g/mol, XLogP of 6.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 59983755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).