2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide

C24H25NO4S — CID 8808291

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C24H25NO4S/c1-18(26)20-10-11-22(23(15-20)28-2)29-17-24(27)25(16-21-9-6-14-30-21)13-12-19-7-4-3-5-8-19/h3-11,14-15H,12-13,16-17H2,1-2H3
InChIKeyMVLUFGCRLOIVSM-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.61
Rot. Bonds10

About 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8808291) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8808291
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C24H25NO4S/c1-18(26)20-10-11-22(23(15-20)28-2)29-17-24(27)25(16-21-9-6-14-30-21)13-12-19-7-4-3-5-8-19/h3-11,14-15H,12-13,16-17H2,1-2H3
InChIKeyMVLUFGCRLOIVSM-UHFFFAOYSA-N
XLogP4.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-nitro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166650
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide
CID 4210246
2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9012034
2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 7283565
2-[benzylcarbamoyl(butan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4011032
2-[benzylcarbamoyl(propyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3933760
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4029662
2-[benzylcarbamoyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3583526
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
2-(butylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4196913

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 8808291) is 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide is COc1cc(C(C)=O)ccc1OCC(=O)N(CCc1ccccc1)Cc1cccs1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MVLUFGCRLOIVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-18(26)20-10-11-22(23(15-20)28-2)29-17-24(27)25(16-21-9-6-14-30-21)13-12-19-7-4-3-5-8-19/h3-11,14-15H,12-13,16-17H2,1-2H3.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 423.53 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8808291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).