2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide

C21H21NO2S — CID 24682654

IUPAC2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCOc1ccc(C)cc1CC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C21H21NO2S/c1-15-10-11-18(24-2)17(13-15)14-20(23)22-21(19-9-6-12-25-19)16-7-4-3-5-8-16/h3-13,21H,14H2,1-2H3,(H,22,23)
InChIKeyFLIDOWRBEVLMKV-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.51
Rot. Bonds6

About 2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide

2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 24682654) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID24682654
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCOc1ccc(C)cc1CC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C21H21NO2S/c1-15-10-11-18(24-2)17(13-15)14-20(23)22-21(19-9-6-12-25-19)16-7-4-3-5-8-16/h3-13,21H,14H2,1-2H3,(H,22,23)
InChIKeyFLIDOWRBEVLMKV-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8805898
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805882
3-(2-methoxyphenyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 24613748
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499470
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8845954
2-(2-fluorophenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8854118
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 8540773
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7669917
N'-[2-(2-methoxy-5-methylphenyl)acetyl]thiophene-2-carbohydrazide
CID 9318540

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 24682654) is 2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide is COc1ccc(C)cc1CC(=O)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is FLIDOWRBEVLMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-15-10-11-18(24-2)17(13-15)14-20(23)22-21(19-9-6-12-25-19)16-7-4-3-5-8-16/h3-13,21H,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 351.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 24682654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).