5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide

C20H17FN2O3S — CID 55567080

IUPAC5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C20H17FN2O3S/c1-26-12-19(24)22-15-3-2-4-16(11-15)23-20(25)18-10-9-17(27-18)13-5-7-14(21)8-6-13/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDXXAYIQOFBXCAL-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.39
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide

5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 55567080) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID55567080
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C20H17FN2O3S/c1-26-12-19(24)22-15-3-2-4-16(11-15)23-20(25)18-10-9-17(27-18)13-5-7-14(21)8-6-13/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDXXAYIQOFBXCAL-UHFFFAOYSA-N
XLogP4.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30378979
N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55368088
methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781537
2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46569659
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 55612844
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 55879229
5-(4-fluorophenyl)-N-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 34438299
4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55567162
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
N-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31520800

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide (CID 55567080) is 5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide is COCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is DXXAYIQOFBXCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-26-12-19(24)22-15-3-2-4-16(11-15)23-20(25)18-10-9-17(27-18)13-5-7-14(21)8-6-13/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55567080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).