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

C11H9ClN2OS — CID 741568

IUPAC2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)cc2)csc1N
InChIInChI=1S/C11H9ClN2OS/c12-7-3-1-6(2-4-7)8-5-16-11(14)9(8)10(13)15/h1-5H,14H2,(H2,13,15)
InChIKeyLCFOOVGQEWZAJK-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.75
Rot. Bonds2

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

2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide (PubChem CID 741568) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide
PubChem CID741568
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)cc2)csc1N
InChIInChI=1S/C11H9ClN2OS/c12-7-3-1-6(2-4-7)8-5-16-11(14)9(8)10(13)15/h1-5H,14H2,(H2,13,15)
InChIKeyLCFOOVGQEWZAJK-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 2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide (CID 741568) is 2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide is NC(=O)c1c(-c2ccc(Cl)cc2)csc1N.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide?
The InChIKey is LCFOOVGQEWZAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-7-3-1-6(2-4-7)8-5-16-11(14)9(8)10(13)15/h1-5H,14H2,(H2,13,15).
What are the key properties of 2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide?
2-amino-4-(4-chlorophenyl)thiophene-3-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 2-amino-4-(4-chlorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 741568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).