5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide

C14H15BrN2O2S — CID 79613778

IUPAC5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide
SMILESCOc1cc(Br)cc(C)c1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H15BrN2O2S/c1-8-3-10(15)5-12(19-2)13(8)17-6-11-4-9(7-20-11)14(16)18/h3-5,7,17H,6H2,1-2H3,(H2,16,18)
InChIKeyAUZPZOGDEAKCTR-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.54
Rot. Bonds5

About 5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide

5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide (PubChem CID 79613778) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide
PubChem CID79613778
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide
SMILESCOc1cc(Br)cc(C)c1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H15BrN2O2S/c1-8-3-10(15)5-12(19-2)13(8)17-6-11-4-9(7-20-11)14(16)18/h3-5,7,17H,6H2,1-2H3,(H2,16,18)
InChIKeyAUZPZOGDEAKCTR-UHFFFAOYSA-N
XLogP3.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide (CID 79613778) is 5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide is COc1cc(Br)cc(C)c1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide?
The InChIKey is AUZPZOGDEAKCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-8-3-10(15)5-12(19-2)13(8)17-6-11-4-9(7-20-11)14(16)18/h3-5,7,17H,6H2,1-2H3,(H2,16,18).
What are the key properties of 5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide?
5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide has a molecular weight of 355.26 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).