2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide

C11H16ClNOS — CID 62319044

IUPAC2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1ccc(CC)s1
InChIInChI=1S/C11H16ClNOS/c1-3-7-13-11(14)10(12)9-6-5-8(4-2)15-9/h5-6,10H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyXOPVHDIFCSWWLF-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.12
Rot. Bonds5

About 2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide

2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide (PubChem CID 62319044) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide
PubChem CID62319044
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1ccc(CC)s1
InChIInChI=1S/C11H16ClNOS/c1-3-7-13-11(14)10(12)9-6-5-8(4-2)15-9/h5-6,10H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyXOPVHDIFCSWWLF-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.12
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-2-(5-ethylthiophen-2-yl)-N-propylacetamide?
The IUPAC name of 2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide (CID 62319044) is 2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide?
The canonical SMILES for 2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide is CCCNC(=O)C(Cl)c1ccc(CC)s1.
What is the InChIKey of 2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide?
The InChIKey is XOPVHDIFCSWWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-3-7-13-11(14)10(12)9-6-5-8(4-2)15-9/h5-6,10H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide?
2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide has a molecular weight of 245.77 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide is sourced from PubChem (CID 62319044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).