5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide

C14H15N3O3S — CID 138490346

IUPAC5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2sc(N)c(C(N)=O)c2C)cc1
InChIInChI=1S/C14H15N3O3S/c1-7-10(12(15)18)13(16)21-11(7)14(19)17-8-3-5-9(20-2)6-4-8/h3-6H,16H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyHRUWLNUGPTWLPP-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.00
Rot. Bonds4

About 5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide

5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide (PubChem CID 138490346) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide
PubChem CID138490346
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2sc(N)c(C(N)=O)c2C)cc1
InChIInChI=1S/C14H15N3O3S/c1-7-10(12(15)18)13(16)21-11(7)14(19)17-8-3-5-9(20-2)6-4-8/h3-6H,16H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyHRUWLNUGPTWLPP-UHFFFAOYSA-N
XLogP2.00
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide (CID 138490346) is 5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide is COc1ccc(NC(=O)c2sc(N)c(C(N)=O)c2C)cc1.
What is the InChIKey of 5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide?
The InChIKey is HRUWLNUGPTWLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-7-10(12(15)18)13(16)21-11(7)14(19)17-8-3-5-9(20-2)6-4-8/h3-6H,16H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of 5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide?
5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-N-(4-methoxyphenyl)-3-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).