N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide

C14H10Cl2N2OS — CID 2971084

IUPACN-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide
SMILESCCC(=O)Nc1scc(-c2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C14H10Cl2N2OS/c1-2-13(19)18-14-10(6-17)11(7-20-14)9-4-3-8(15)5-12(9)16/h3-5,7H,2H2,1H3,(H,18,19)
InChIKeyUGJFJBRNFVRDJP-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.94
Rot. Bonds3

About N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide

N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide (PubChem CID 2971084) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide
PubChem CID2971084
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC NameN-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide
SMILESCCC(=O)Nc1scc(-c2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C14H10Cl2N2OS/c1-2-13(19)18-14-10(6-17)11(7-20-14)9-4-3-8(15)5-12(9)16/h3-5,7H,2H2,1H3,(H,18,19)
InChIKeyUGJFJBRNFVRDJP-UHFFFAOYSA-N
XLogP4.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide?
The IUPAC name of N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide (CID 2971084) is N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide.
What is the SMILES notation for N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide?
The canonical SMILES for N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide is CCC(=O)Nc1scc(-c2ccc(Cl)cc2Cl)c1C#N.
What is the InChIKey of N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide?
The InChIKey is UGJFJBRNFVRDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-2-13(19)18-14-10(6-17)11(7-20-14)9-4-3-8(15)5-12(9)16/h3-5,7H,2H2,1H3,(H,18,19).
What are the key properties of N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide?
N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide has a molecular weight of 325.22 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]propanamide is sourced from PubChem (CID 2971084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).