5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide

C14H15N3O2S — CID 138490367

IUPAC5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)NCc2ccccc2)sc(N)c1C(N)=O
InChIInChI=1S/C14H15N3O2S/c1-8-10(12(15)18)13(16)20-11(8)14(19)17-7-9-5-3-2-4-6-9/h2-6H,7,16H2,1H3,(H2,15,18)(H,17,19)
InChIKeyWUZIKXQIODCMDS-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.67
Rot. Bonds4

About 5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide

5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide (PubChem CID 138490367) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide
PubChem CID138490367
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)NCc2ccccc2)sc(N)c1C(N)=O
InChIInChI=1S/C14H15N3O2S/c1-8-10(12(15)18)13(16)20-11(8)14(19)17-7-9-5-3-2-4-6-9/h2-6H,7,16H2,1H3,(H2,15,18)(H,17,19)
InChIKeyWUZIKXQIODCMDS-UHFFFAOYSA-N
XLogP1.67
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide (CID 138490367) is 5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide is Cc1c(C(=O)NCc2ccccc2)sc(N)c1C(N)=O.
What is the InChIKey of 5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide?
The InChIKey is WUZIKXQIODCMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-10(12(15)18)13(16)20-11(8)14(19)17-7-9-5-3-2-4-6-9/h2-6H,7,16H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of 5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide?
5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-N-benzyl-3-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).