N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide

C14H14ClNOS — CID 1245406

IUPACN-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c15-12-5-3-11(4-6-12)7-8-16-14(17)10-13-2-1-9-18-13/h1-6,9H,7-8,10H2,(H,16,17)
InChIKeyKXXYIGHFFXVXJZ-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 1245406) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID1245406
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c15-12-5-3-11(4-6-12)7-8-16-14(17)10-13-2-1-9-18-13/h1-6,9H,7-8,10H2,(H,16,17)
InChIKeyKXXYIGHFFXVXJZ-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide (CID 1245406) is N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is KXXYIGHFFXVXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c15-12-5-3-11(4-6-12)7-8-16-14(17)10-13-2-1-9-18-13/h1-6,9H,7-8,10H2,(H,16,17).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 279.79 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1245406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).