3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide

C13H14N2OS — CID 61089660

IUPAC3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sccc2N)cc1
InChIInChI=1S/C13H14N2OS/c1-2-9-3-5-10(6-4-9)15-13(16)12-11(14)7-8-17-12/h3-8H,2,14H2,1H3,(H,15,16)
InChIKeyBVXSKNKDASLQDU-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.14
Rot. Bonds3

About 3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide

3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide (PubChem CID 61089660) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
PubChem CID61089660
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sccc2N)cc1
InChIInChI=1S/C13H14N2OS/c1-2-9-3-5-10(6-4-9)15-13(16)12-11(14)7-8-17-12/h3-8H,2,14H2,1H3,(H,15,16)
InChIKeyBVXSKNKDASLQDU-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate
CID 61118465
3-amino-N-(2,6-diethylphenyl)thiophene-2-carboxamide
CID 61091035
3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 61117853
N-[4-(bromomethyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 114310919
3-amino-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 61091897
N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849021
3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide
CID 107571089
3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 61110951
N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide
CID 79985935
3-amino-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 61110938
N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 50928103

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide (CID 61089660) is 3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide is CCc1ccc(NC(=O)c2sccc2N)cc1.
What is the InChIKey of 3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide?
The InChIKey is BVXSKNKDASLQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-9-3-5-10(6-4-9)15-13(16)12-11(14)7-8-17-12/h3-8H,2,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide?
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 61089660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).