2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide

C10H14ClNOS — CID 62321090

IUPAC2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide
SMILESCCNC(=O)C(Cl)c1ccc(CC)s1
InChIInChI=1S/C10H14ClNOS/c1-3-7-5-6-8(14-7)9(11)10(13)12-4-2/h5-6,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyCUXYWRKYXIYMRG-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.73
Rot. Bonds4

About 2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide

2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide (PubChem CID 62321090) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide
PubChem CID62321090
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide
SMILESCCNC(=O)C(Cl)c1ccc(CC)s1
InChIInChI=1S/C10H14ClNOS/c1-3-7-5-6-8(14-7)9(11)10(13)12-4-2/h5-6,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyCUXYWRKYXIYMRG-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide (CID 62321090) is 2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide is CCNC(=O)C(Cl)c1ccc(CC)s1.
What is the InChIKey of 2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide?
The InChIKey is CUXYWRKYXIYMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-3-7-5-6-8(14-7)9(11)10(13)12-4-2/h5-6,9H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide?
2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide has a molecular weight of 231.75 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide is sourced from PubChem (CID 62321090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).