5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide

C13H11Cl2NO2S — CID 47265212

IUPAC5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide
SMILESCON(C)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C13H11Cl2NO2S/c1-16(18-2)13(17)12-4-3-11(19-12)8-5-9(14)7-10(15)6-8/h3-7H,1-2H3
InChIKeyBNHFNGRTGCELDO-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.36
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide

5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 47265212) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide
PubChem CID47265212
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide
SMILESCON(C)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C13H11Cl2NO2S/c1-16(18-2)13(17)12-4-3-11(19-12)8-5-9(14)7-10(15)6-8/h3-7H,1-2H3
InChIKeyBNHFNGRTGCELDO-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide (CID 47265212) is 5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide is CON(C)C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is BNHFNGRTGCELDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c1-16(18-2)13(17)12-4-3-11(19-12)8-5-9(14)7-10(15)6-8/h3-7H,1-2H3.
What are the key properties of 5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide?
5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 316.21 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-N-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 47265212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).