2-chloro-N-(1-thiophen-2-ylethyl)acetamide

C8H10ClNOS — CID 4961595

IUPAC2-chloro-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CCl)c1cccs1
InChIInChI=1S/C8H10ClNOS/c1-6(10-8(11)5-9)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyVRCUYEBCUHAHLH-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.16
Rot. Bonds3

About 2-chloro-N-(1-thiophen-2-ylethyl)acetamide

2-chloro-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 4961595) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-chloro-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID4961595
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name2-chloro-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CCl)c1cccs1
InChIInChI=1S/C8H10ClNOS/c1-6(10-8(11)5-9)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyVRCUYEBCUHAHLH-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.16
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-[(thiophen-2-yl)methyl]acetamide
CID 30617
LON-WEI-8f408cad-5
CID 7131790
Icosa-5,8,11,14-tetraenoic acid (thiophen-2-ylmethyl)-amide
CID 10272277
2-chloro-N-methyl-N-(thien-2-ylmethyl)acetamide
CID 2543182
3-(2-Chloroacetyl)-1-[(thiophen-2-yl)methyl]urea
CID 7131305
2-Cyano-N-(2-thienylmethyl)acetamide
CID 601924
Acetamide, N-(1-cyano-1-(2-thienyl)ethyl)-
CID 205326
2-chloro-N-[(4-methylphenyl)(thiophen-2-yl)methyl]acetamide
CID 4962646
2-chloro-N-methyl-N-((3-methylthiophen-2-yl)methyl)acetamide
CID 16226905
2-chloro-N-((thiophen-2-yl)methyl)acetamide
CID 1805993
2-chloro-N-[2-(thiophen-2-yl)ethyl]propanamide
CID 4962340
N-[(thiophen-2-yl)methyl]butanamide
CID 4117885

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-chloro-N-(1-thiophen-2-ylethyl)acetamide (CID 4961595) is 2-chloro-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-chloro-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CCl)c1cccs1.
What is the InChIKey of 2-chloro-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is VRCUYEBCUHAHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-6(10-8(11)5-9)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11).
What are the key properties of 2-chloro-N-(1-thiophen-2-ylethyl)acetamide?
2-chloro-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 203.69 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 4961595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).