3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide

C11H9ClN2OS — CID 2756390

IUPAC3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C11H9ClN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)
InChIKeyMQYJPACEBWKWEH-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.75
Rot. Bonds2

About 3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide

3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide (PubChem CID 2756390) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide
PubChem CID2756390
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C11H9ClN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)
InChIKeyMQYJPACEBWKWEH-UHFFFAOYSA-N
XLogP2.75
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide (CID 2756390) is 3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide is NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N.
What is the InChIKey of 3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide?
The InChIKey is MQYJPACEBWKWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15).
What are the key properties of 3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide?
3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide has a molecular weight of 252.73 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2756390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).