5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide

C14H13N3O2S — CID 107466870

IUPAC5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide
SMILESCOc1cccc(C#N)c1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H13N3O2S/c1-19-12-4-2-3-9(6-15)13(12)17-7-11-5-10(8-20-11)14(16)18/h2-5,8,17H,7H2,1H3,(H2,16,18)
InChIKeyDWDQIXPTCKQYDG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.34
Rot. Bonds5

About 5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide

5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide (PubChem CID 107466870) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide
PubChem CID107466870
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide
SMILESCOc1cccc(C#N)c1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H13N3O2S/c1-19-12-4-2-3-9(6-15)13(12)17-7-11-5-10(8-20-11)14(16)18/h2-5,8,17H,7H2,1H3,(H2,16,18)
InChIKeyDWDQIXPTCKQYDG-UHFFFAOYSA-N
XLogP2.34
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide
CID 79614297
5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide
CID 79613778
5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611398
2-amino-3-(2-cyano-6-methoxyanilino)propanamide
CID 107468750
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
5-[(4-bromo-2-cyanoanilino)methyl]thiophene-3-carboxamide
CID 82707727
2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107741174
2-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107467113
5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79613618
methyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79613574
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide (CID 107466870) is 5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide is COc1cccc(C#N)c1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide?
The InChIKey is DWDQIXPTCKQYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-12-4-2-3-9(6-15)13(12)17-7-11-5-10(8-20-11)14(16)18/h2-5,8,17H,7H2,1H3,(H2,16,18).
What are the key properties of 5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide?
5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 107466870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).