N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide

C15H12Cl2N2O2S — CID 2849869

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c1C
InChIInChI=1S/C15H12Cl2N2O2S/c1-8-9(2)22-15(11(8)6-18)19-14(20)7-21-13-4-3-10(16)5-12(13)17/h3-5H,7H2,1-2H3,(H,19,20)
InChIKeyICLZUKFVNOPVKY-UHFFFAOYSA-N
MW355.25 g/mol
LogP4.56
Rot. Bonds4

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 2849869) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID2849869
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c1C
InChIInChI=1S/C15H12Cl2N2O2S/c1-8-9(2)22-15(11(8)6-18)19-14(20)7-21-13-4-3-10(16)5-12(13)17/h3-5H,7H2,1-2H3,(H,19,20)
InChIKeyICLZUKFVNOPVKY-UHFFFAOYSA-N
XLogP4.56
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide (CID 2849869) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide is Cc1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is ICLZUKFVNOPVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c1-8-9(2)22-15(11(8)6-18)19-14(20)7-21-13-4-3-10(16)5-12(13)17/h3-5H,7H2,1-2H3,(H,19,20).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 355.25 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 2849869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).