2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide

C11H16ClNOS — CID 62319045

IUPAC2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide
SMILESCCc1ccc(C(Cl)C(=O)NC(C)C)s1
InChIInChI=1S/C11H16ClNOS/c1-4-8-5-6-9(15-8)10(12)11(14)13-7(2)3/h5-7,10H,4H2,1-3H3,(H,13,14)
InChIKeyFOBIXEWINMZTAW-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.12
Rot. Bonds4

About 2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide

2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide (PubChem CID 62319045) 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide
PubChem CID62319045
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide
SMILESCCc1ccc(C(Cl)C(=O)NC(C)C)s1
InChIInChI=1S/C11H16ClNOS/c1-4-8-5-6-9(15-8)10(12)11(14)13-7(2)3/h5-7,10H,4H2,1-3H3,(H,13,14)
InChIKeyFOBIXEWINMZTAW-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

2-chloro-N-ethyl-2-(5-ethylthiophen-2-yl)acetamide
CID 62321090
2-chloro-2-(5-ethylthiophen-2-yl)-N-propylacetamide
CID 62319044
2-[1-(5-ethylthiophen-2-yl)ethylamino]-N-methylpropanamide
CID 61464605
N-tert-butyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 81296864
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid
CID 62942751
5-(5-ethylthiophen-2-yl)hexan-2-one
CID 83929357
2-(1-chloro-2,2-dimethylpropyl)-5-ethylthiophene
CID 63430858
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide
CID 61333178
2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide
CID 61336100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide (CID 62319045) is 2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide is CCc1ccc(C(Cl)C(=O)NC(C)C)s1.
What is the InChIKey of 2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide?
The InChIKey is FOBIXEWINMZTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-4-8-5-6-9(15-8)10(12)11(14)13-7(2)3/h5-7,10H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide?
2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide has a molecular weight of 245.77 g/mol, XLogP of 3.12, 4 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-propan-2-ylacetamide is sourced from PubChem (CID 62319045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).