N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide

C15H16ClNO2S — CID 113102822

IUPACN-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(Cl)c(OCCNC(=O)Cc2cccs2)c1
InChIInChI=1S/C15H16ClNO2S/c1-11-4-5-13(16)14(9-11)19-7-6-17-15(18)10-12-3-2-8-20-12/h2-5,8-9H,6-7,10H2,1H3,(H,17,18)
InChIKeyGQPYSIRQMTXKNH-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.45
Rot. Bonds6

About N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide

N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 113102822) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
PubChem CID113102822
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(Cl)c(OCCNC(=O)Cc2cccs2)c1
InChIInChI=1S/C15H16ClNO2S/c1-11-4-5-13(16)14(9-11)19-7-6-17-15(18)10-12-3-2-8-20-12/h2-5,8-9H,6-7,10H2,1H3,(H,17,18)
InChIKeyGQPYSIRQMTXKNH-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39381817
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 113102045
N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide
CID 113102801
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
CID 113102839
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 113102845
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 108573230
3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 86897699
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]butanamide
CID 108573245

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide (CID 113102822) is N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide is Cc1ccc(Cl)c(OCCNC(=O)Cc2cccs2)c1.
What is the InChIKey of N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is GQPYSIRQMTXKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-11-4-5-13(16)14(9-11)19-7-6-17-15(18)10-12-3-2-8-20-12/h2-5,8-9H,6-7,10H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 309.82 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113102822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).