2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide

C14H14ClNOS — CID 90023032

IUPAC2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccsc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c1-2-16-13(17)9-11-7-8-18-14(11)10-3-5-12(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyTYMWXTPSJAMIEH-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.75
Rot. Bonds4

About 2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide

2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide (PubChem CID 90023032) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide
PubChem CID90023032
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccsc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c1-2-16-13(17)9-11-7-8-18-14(11)10-3-5-12(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyTYMWXTPSJAMIEH-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide (CID 90023032) is 2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide is CCNC(=O)Cc1ccsc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide?
The InChIKey is TYMWXTPSJAMIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-2-16-13(17)9-11-7-8-18-14(11)10-3-5-12(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide?
2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide has a molecular weight of 279.79 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)thiophen-3-yl]-N-ethylacetamide is sourced from PubChem (CID 90023032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).