5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide

C14H15N3O2S — CID 138490335

IUPAC5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2sc(N)c(C(N)=O)c2C)cc1
InChIInChI=1S/C14H15N3O2S/c1-7-3-5-9(6-4-7)17-14(19)11-8(2)10(12(15)18)13(16)20-11/h3-6H,16H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyNZAXLYFKQCVQGX-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.30
Rot. Bonds3

About 5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide

5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide (PubChem CID 138490335) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide
PubChem CID138490335
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2sc(N)c(C(N)=O)c2C)cc1
InChIInChI=1S/C14H15N3O2S/c1-7-3-5-9(6-4-7)17-14(19)11-8(2)10(12(15)18)13(16)20-11/h3-6H,16H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyNZAXLYFKQCVQGX-UHFFFAOYSA-N
XLogP2.30
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.30
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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Related Compounds

N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
3-(Carbamoylamino)-5-Phenylthiophene-2-Carboxamide
CID 10220851
N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
5-[2-(3-Aminophenyl)ethynyl]-2-(carbamoylamino)thiophene-3-carboxamide
CID 25137998
2-(Carbamoylamino)-5-[2-(3-acetamidophenyl)ethynyl]thiophene-3-carboxamide
CID 25138003
4-[(Thiophen-2-ylacetyl)amino]benzamide
CID 670145
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
N-(2,4-Dimethylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 606276
2-benzamido-N-(2-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1659787

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide (CID 138490335) is 5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide is Cc1ccc(NC(=O)c2sc(N)c(C(N)=O)c2C)cc1.
What is the InChIKey of 5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide?
The InChIKey is NZAXLYFKQCVQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-7-3-5-9(6-4-7)17-14(19)11-8(2)10(12(15)18)13(16)20-11/h3-6H,16H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of 5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide?
5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-2-N-(4-methylphenyl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).