2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide

C8H10ClNOS — CID 166409211

IUPAC2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide
SMILESCc1cc(NC(=O)CCl)c(C)s1
InChIInChI=1S/C8H10ClNOS/c1-5-3-7(6(2)12-5)10-8(11)4-9/h3H,4H2,1-2H3,(H,10,11)
InChIKeyNQNLAQNWIYPYLT-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.54
Rot. Bonds2

About 2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide

2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide (PubChem CID 166409211) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide
PubChem CID166409211
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide
SMILESCc1cc(NC(=O)CCl)c(C)s1
InChIInChI=1S/C8H10ClNOS/c1-5-3-7(6(2)12-5)10-8(11)4-9/h3H,4H2,1-2H3,(H,10,11)
InChIKeyNQNLAQNWIYPYLT-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.54
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

methyl 4-[(2-chloroacetyl)amino]-5-methylthiophene-2-carboxylate
CID 166431687
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
4-(2,5-dimethylthiophen-3-yl)-N-(2-hydroxyphenyl)-4-oxobutanamide
CID 24535621
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
N-(4-bromothiophen-3-yl)-2-chloroacetamide
CID 166409195
2-chloro-N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide
CID 14627530
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8877926
2-chloro-N-(4-hydroxy-2,5-dimethoxyphenyl)acetamide
CID 91138680
methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
CID 166415130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide (CID 166409211) is 2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide is Cc1cc(NC(=O)CCl)c(C)s1.
What is the InChIKey of 2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide?
The InChIKey is NQNLAQNWIYPYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-5-3-7(6(2)12-5)10-8(11)4-9/h3H,4H2,1-2H3,(H,10,11).
What are the key properties of 2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide?
2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide has a molecular weight of 203.69 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dimethylthiophen-3-yl)acetamide is sourced from PubChem (CID 166409211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).