2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide

C14H14ClNO2S — CID 13390922

IUPAC2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCOc1ccccc1N(Cc1ccsc1)C(=O)CCl
InChIInChI=1S/C14H14ClNO2S/c1-18-13-5-3-2-4-12(13)16(14(17)8-15)9-11-6-7-19-10-11/h2-7,10H,8-9H2,1H3
InChIKeySULRIYDSISGWPQ-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.53
Rot. Bonds5

About 2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide

2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 13390922) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID13390922
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCOc1ccccc1N(Cc1ccsc1)C(=O)CCl
InChIInChI=1S/C14H14ClNO2S/c1-18-13-5-3-2-4-12(13)16(14(17)8-15)9-11-6-7-19-10-11/h2-7,10H,8-9H2,1H3
InChIKeySULRIYDSISGWPQ-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide (CID 13390922) is 2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide is COc1ccccc1N(Cc1ccsc1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is SULRIYDSISGWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-18-13-5-3-2-4-12(13)16(14(17)8-15)9-11-6-7-19-10-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide?
2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 295.79 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 13390922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).