[3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone

C20H20N2O4S — CID 141278039

IUPAC[3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(Nc3ccc(OC)cc3OC)cc2N)cc1
InChIInChI=1S/C20H20N2O4S/c1-24-13-6-4-12(5-7-13)19(23)20-15(21)11-18(27-20)22-16-9-8-14(25-2)10-17(16)26-3/h4-11,22H,21H2,1-3H3
InChIKeyHYYDWMGLJVIGRL-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.33
Rot. Bonds7

About [3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone

[3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 141278039) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is [3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone
PubChem CID141278039
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name[3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(Nc3ccc(OC)cc3OC)cc2N)cc1
InChIInChI=1S/C20H20N2O4S/c1-24-13-6-4-12(5-7-13)19(23)20-15(21)11-18(27-20)22-16-9-8-14(25-2)10-17(16)26-3/h4-11,22H,21H2,1-3H3
InChIKeyHYYDWMGLJVIGRL-UHFFFAOYSA-N
XLogP4.33
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone (CID 141278039) is [3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc(Nc3ccc(OC)cc3OC)cc2N)cc1.
What is the InChIKey of [3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is HYYDWMGLJVIGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-24-13-6-4-12(5-7-13)19(23)20-15(21)11-18(27-20)22-16-9-8-14(25-2)10-17(16)26-3/h4-11,22H,21H2,1-3H3.
What are the key properties of [3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone?
[3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 384.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(2,4-dimethoxyanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 141278039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).