[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone

C17H11Cl2NOS — CID 25265551

IUPAC[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
SMILESNc1scc(-c2cccc(Cl)c2)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2NOS/c18-12-6-4-10(5-7-12)16(21)15-14(9-22-17(15)20)11-2-1-3-13(19)8-11/h1-9H,20H2
InChIKeyMCPPVFZZWYUKNT-UHFFFAOYSA-N
MW348.25 g/mol
LogP5.54
Rot. Bonds3

About [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone

[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone (PubChem CID 25265551) has the molecular formula C17H11Cl2NOS and a molecular weight of 348.25 g/mol. Its IUPAC name is [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
PubChem CID25265551
Molecular FormulaC17H11Cl2NOS
Molecular Weight348.25 g/mol
Exact Mass346.99
IUPAC Name[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
SMILESNc1scc(-c2cccc(Cl)c2)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2NOS/c18-12-6-4-10(5-7-12)16(21)15-14(9-22-17(15)20)11-2-1-3-13(19)8-11/h1-9H,20H2
InChIKeyMCPPVFZZWYUKNT-UHFFFAOYSA-N
XLogP5.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.25
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone (CID 25265551) is [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone is Nc1scc(-c2cccc(Cl)c2)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is MCPPVFZZWYUKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NOS/c18-12-6-4-10(5-7-12)16(21)15-14(9-22-17(15)20)11-2-1-3-13(19)8-11/h1-9H,20H2.
What are the key properties of [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone?
[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 348.25 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 25265551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).