5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide

C13H11Cl2NO2S — CID 2818957

IUPAC5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(Cl)cc2)csc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-18-11-10(7-19-12(11)15)13(17)16-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyJRFDUQHZDTZIOL-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.99
Rot. Bonds4

About 5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide

5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide (PubChem CID 2818957) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide
PubChem CID2818957
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(Cl)cc2)csc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-18-11-10(7-19-12(11)15)13(17)16-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyJRFDUQHZDTZIOL-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide?
The IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide (CID 2818957) is 5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide is COc1c(C(=O)NCc2ccc(Cl)cc2)csc1Cl.
What is the InChIKey of 5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide?
The InChIKey is JRFDUQHZDTZIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c1-18-11-10(7-19-12(11)15)13(17)16-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide?
5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide has a molecular weight of 316.21 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-chlorophenyl)methyl]-4-methoxythiophene-3-carboxamide is sourced from PubChem (CID 2818957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).