2-chloro-N-(1-thiophen-3-ylethyl)acetamide

C8H10ClNOS — CID 62842251

IUPAC2-chloro-N-(1-thiophen-3-ylethyl)acetamide
SMILESCC(NC(=O)CCl)c1ccsc1
InChIInChI=1S/C8H10ClNOS/c1-6(10-8(11)4-9)7-2-3-12-5-7/h2-3,5-6H,4H2,1H3,(H,10,11)
InChIKeyGZVQDQFPSWKEJN-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.16
Rot. Bonds3

About 2-chloro-N-(1-thiophen-3-ylethyl)acetamide

2-chloro-N-(1-thiophen-3-ylethyl)acetamide (PubChem CID 62842251) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-chloro-N-(1-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-thiophen-3-ylethyl)acetamide
PubChem CID62842251
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name2-chloro-N-(1-thiophen-3-ylethyl)acetamide
SMILESCC(NC(=O)CCl)c1ccsc1
InChIInChI=1S/C8H10ClNOS/c1-6(10-8(11)4-9)7-2-3-12-5-7/h2-3,5-6H,4H2,1H3,(H,10,11)
InChIKeyGZVQDQFPSWKEJN-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

2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
CID 141483840
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid
CID 62841517
2-(1-aminocyclopentyl)-N-(1-thiophen-3-ylethyl)acetamide
CID 64679741
2-methyl-2-(methylamino)-N-(1-thiophen-3-ylethyl)propanamide
CID 62843521
(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide
CID 62844569
(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide
CID 107569617
1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655677
4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide
CID 102851621
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-chloro-N-(1-thiophen-3-ylethyl)acetamide (CID 62842251) is 2-chloro-N-(1-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-chloro-N-(1-thiophen-3-ylethyl)acetamide is CC(NC(=O)CCl)c1ccsc1.
What is the InChIKey of 2-chloro-N-(1-thiophen-3-ylethyl)acetamide?
The InChIKey is GZVQDQFPSWKEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-6(10-8(11)4-9)7-2-3-12-5-7/h2-3,5-6H,4H2,1H3,(H,10,11).
What are the key properties of 2-chloro-N-(1-thiophen-3-ylethyl)acetamide?
2-chloro-N-(1-thiophen-3-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-3-ylethyl)acetamide is sourced from PubChem (CID 62842251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).