N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide

C9H12ClNOS — CID 114299702

IUPACN-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(CCl)NC(=O)Cc1cccs1
InChIInChI=1S/C9H12ClNOS/c1-7(6-10)11-9(12)5-8-3-2-4-13-8/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyZBEMYXCJTMLJOV-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.03
Rot. Bonds4

About N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide

N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 114299702) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
PubChem CID114299702
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC NameN-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(CCl)NC(=O)Cc1cccs1
InChIInChI=1S/C9H12ClNOS/c1-7(6-10)11-9(12)5-8-3-2-4-13-8/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyZBEMYXCJTMLJOV-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.03
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

N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
CID 62092047
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide
CID 61120272
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 51947501
N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide
CID 47450824
(2R)-N-ethyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 8750175
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 47007711
N-[1-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 47004762
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 94182945

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide (CID 114299702) is N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide is CC(CCl)NC(=O)Cc1cccs1.
What is the InChIKey of N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is ZBEMYXCJTMLJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-7(6-10)11-9(12)5-8-3-2-4-13-8/h2-4,7H,5-6H2,1H3,(H,11,12).
What are the key properties of N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide?
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 217.72 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 114299702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).