N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide

C14H13Cl2NOS — CID 4833383

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide
SMILESCC(NC(=O)Cc1ccsc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NOS/c1-9(12-3-2-11(15)7-13(12)16)17-14(18)6-10-4-5-19-8-10/h2-5,7-9H,6H2,1H3,(H,17,18)
InChIKeyPBYWZNYOJACPOH-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.47
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide (PubChem CID 4833383) has the molecular formula C14H13Cl2NOS and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide
PubChem CID4833383
Molecular FormulaC14H13Cl2NOS
Molecular Weight314.24 g/mol
Exact Mass313.01
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide
SMILESCC(NC(=O)Cc1ccsc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NOS/c1-9(12-3-2-11(15)7-13(12)16)17-14(18)6-10-4-5-19-8-10/h2-5,7-9H,6H2,1H3,(H,17,18)
InChIKeyPBYWZNYOJACPOH-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 1245406
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
2,4-dichloro-N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)benzenecarboxamide
CID 4266221
3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5179108
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
3,4-dichloro-N-(2-thiophen-2-ylethyl)benzamide
CID 1511025
2-(2,4-Dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2872053
3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 4035024

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide (CID 4833383) is N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide is CC(NC(=O)Cc1ccsc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide?
The InChIKey is PBYWZNYOJACPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NOS/c1-9(12-3-2-11(15)7-13(12)16)17-14(18)6-10-4-5-19-8-10/h2-5,7-9H,6H2,1H3,(H,17,18).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide has a molecular weight of 314.24 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 4833383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).