5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide

C13H13FN2O2S — CID 79614297

IUPAC5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide
SMILESCOc1cc(F)ccc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H13FN2O2S/c1-18-12-5-9(14)2-3-11(12)16-6-10-4-8(7-19-10)13(15)17/h2-5,7,16H,6H2,1H3,(H2,15,17)
InChIKeyXUMSBPVBTLDNDK-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.61
Rot. Bonds5

About 5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide

5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide (PubChem CID 79614297) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide
PubChem CID79614297
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide
SMILESCOc1cc(F)ccc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H13FN2O2S/c1-18-12-5-9(14)2-3-11(12)16-6-10-4-8(7-19-10)13(15)17/h2-5,7,16H,6H2,1H3,(H2,15,17)
InChIKeyXUMSBPVBTLDNDK-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611398
4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
CID 79614589
5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide
CID 107466870
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
CID 79613750
5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79612277
4-[(4-carbamoylthiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 79614700
methyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79613574
5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide
CID 79613778
5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79611660
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide (CID 79614297) is 5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide is COc1cc(F)ccc1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide?
The InChIKey is XUMSBPVBTLDNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-18-12-5-9(14)2-3-11(12)16-6-10-4-8(7-19-10)13(15)17/h2-5,7,16H,6H2,1H3,(H2,15,17).
What are the key properties of 5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide?
5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).