2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

C14H14ClNOS — CID 4962646

IUPAC2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)CCl)c2cccs2)cc1
InChIInChI=1S/C14H14ClNOS/c1-10-4-6-11(7-5-10)14(16-13(17)9-15)12-3-2-8-18-12/h2-8,14H,9H2,1H3,(H,16,17)
InChIKeyUHTADWORDHCHCG-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.50
Rot. Bonds4

About 2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 4962646) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID4962646
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)CCl)c2cccs2)cc1
InChIInChI=1S/C14H14ClNOS/c1-10-4-6-11(7-5-10)14(16-13(17)9-15)12-3-2-8-18-12/h2-8,14H,9H2,1H3,(H,16,17)
InChIKeyUHTADWORDHCHCG-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (CID 4962646) is 2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is Cc1ccc(C(NC(=O)CCl)c2cccs2)cc1.
What is the InChIKey of 2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is UHTADWORDHCHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-10-4-6-11(7-5-10)14(16-13(17)9-15)12-3-2-8-18-12/h2-8,14H,9H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 279.79 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 4962646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).