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

C17H12ClNOS — CID 25263610

IUPAC[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone
SMILESNc1scc(-c2cccc(Cl)c2)c1C(=O)c1ccccc1
InChIInChI=1S/C17H12ClNOS/c18-13-8-4-7-12(9-13)14-10-21-17(19)15(14)16(20)11-5-2-1-3-6-11/h1-10H,19H2
InChIKeyWADULVBXLMEDRI-UHFFFAOYSA-N
MW313.81 g/mol
LogP4.88
Rot. Bonds3

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

[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone (PubChem CID 25263610) has the molecular formula C17H12ClNOS and a molecular weight of 313.81 g/mol. Its IUPAC name is [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone
PubChem CID25263610
Molecular FormulaC17H12ClNOS
Molecular Weight313.81 g/mol
Exact Mass313.03
IUPAC Name[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone
SMILESNc1scc(-c2cccc(Cl)c2)c1C(=O)c1ccccc1
InChIInChI=1S/C17H12ClNOS/c18-13-8-4-7-12(9-13)14-10-21-17(19)15(14)16(20)11-5-2-1-3-6-11/h1-10H,19H2
InChIKeyWADULVBXLMEDRI-UHFFFAOYSA-N
XLogP4.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 54.88
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]-phenylmethanone?
The IUPAC name of [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone (CID 25263610) is [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone?
The canonical SMILES for [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone is Nc1scc(-c2cccc(Cl)c2)c1C(=O)c1ccccc1.
What is the InChIKey of [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone?
The InChIKey is WADULVBXLMEDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNOS/c18-13-8-4-7-12(9-13)14-10-21-17(19)15(14)16(20)11-5-2-1-3-6-11/h1-10H,19H2.
What are the key properties of [2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone?
[2-amino-4-(3-chlorophenyl)thiophen-3-yl]-phenylmethanone has a molecular weight of 313.81 g/mol, XLogP of 4.88, 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]-phenylmethanone is sourced from PubChem (CID 25263610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).