5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide

C20H17FN2O3S — CID 11689522

IUPAC5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
SMILESCC(NC(=O)c1ccc(C(=O)NO)s1)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C20H17FN2O3S/c1-12(22-19(24)17-8-9-18(27-17)20(25)23-26)13-4-2-5-14(10-13)15-6-3-7-16(21)11-15/h2-12,26H,1H3,(H,22,24)(H,23,25)
InChIKeyOKFWRXNYYCQVNI-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.16
Rot. Bonds5

About 5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide

5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide (PubChem CID 11689522) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
PubChem CID11689522
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
SMILESCC(NC(=O)c1ccc(C(=O)NO)s1)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C20H17FN2O3S/c1-12(22-19(24)17-8-9-18(27-17)20(25)23-26)13-4-2-5-14(10-13)15-6-3-7-16(21)11-15/h2-12,26H,1H3,(H,22,24)(H,23,25)
InChIKeyOKFWRXNYYCQVNI-UHFFFAOYSA-N
XLogP4.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid
CID 69490279
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 11494760
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81365969
4-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81364858
methyl 5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69052819
N-[1-(3-fluorophenyl)ethyl]-4-iodobenzamide
CID 47098593

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide?
The IUPAC name of 5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide (CID 11689522) is 5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide?
The canonical SMILES for 5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide is CC(NC(=O)c1ccc(C(=O)NO)s1)c1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide?
The InChIKey is OKFWRXNYYCQVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-12(22-19(24)17-8-9-18(27-17)20(25)23-26)13-4-2-5-14(10-13)15-6-3-7-16(21)11-15/h2-12,26H,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide?
5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide has a molecular weight of 384.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide is sourced from PubChem (CID 11689522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).