N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide

C19H16ClNO2S — CID 2465492

IUPACN-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccs2)c1
InChIInChI=1S/C19H16ClNO2S/c1-13-4-2-5-15(10-13)23-18-8-7-14(20)11-17(18)21-19(22)12-16-6-3-9-24-16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyOKLMCQBKSZUYPW-UHFFFAOYSA-N
MW357.86 g/mol
LogP5.68
Rot. Bonds5

About N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide

N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 2465492) has the molecular formula C19H16ClNO2S and a molecular weight of 357.86 g/mol. Its IUPAC name is N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
PubChem CID2465492
Molecular FormulaC19H16ClNO2S
Molecular Weight357.86 g/mol
Exact Mass357.06
IUPAC NameN-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccs2)c1
InChIInChI=1S/C19H16ClNO2S/c1-13-4-2-5-15(10-13)23-18-8-7-14(20)11-17(18)21-19(22)12-16-6-3-9-24-16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyOKLMCQBKSZUYPW-UHFFFAOYSA-N
XLogP5.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.86
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl) 2-thiophen-2-ylacetate
CID 532771
(2R)-N-[5-chloro-2-(3-methylphenoxy)phenyl]oxolane-2-carboxamide
CID 9171691
N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 18139931
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17451721
4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63742917
2-(4-acetamidophenyl)-N-[5-chloro-2-(4-methylphenoxy)phenyl]acetamide
CID 18195978
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2438464
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
CID 108953026
1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide
CID 4965546

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide (CID 2465492) is N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide is Cc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccs2)c1.
What is the InChIKey of N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is OKLMCQBKSZUYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S/c1-13-4-2-5-15(10-13)23-18-8-7-14(20)11-17(18)21-19(22)12-16-6-3-9-24-16/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide?
N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 357.86 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2465492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).