N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide

C22H23NO2S — CID 7669993

IUPACN-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide
SMILESCCc1ccc([C@H](NC(=O)COc2ccccc2C)c2cccs2)cc1
InChIInChI=1S/C22H23NO2S/c1-3-17-10-12-18(13-11-17)22(20-9-6-14-26-20)23-21(24)15-25-19-8-5-4-7-16(19)2/h4-14,22H,3,15H2,1-2H3,(H,23,24)/t22-/m0/s1
InChIKeyIQCZJPVUZHFIQA-QFIPXVFZSA-N
MW365.50 g/mol
LogP4.90
Rot. Bonds7

About N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide

N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 7669993) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide
PubChem CID7669993
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC NameN-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide
SMILESCCc1ccc([C@H](NC(=O)COc2ccccc2C)c2cccs2)cc1
InChIInChI=1S/C22H23NO2S/c1-3-17-10-12-18(13-11-17)22(20-9-6-14-26-20)23-21(24)15-25-19-8-5-4-7-16(19)2/h4-14,22H,3,15H2,1-2H3,(H,23,24)/t22-/m0/s1
InChIKeyIQCZJPVUZHFIQA-QFIPXVFZSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848
2-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853842
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
2-(3-methyl-2-nitrophenoxy)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 112828270
2-(2-fluorophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9011592
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7669917
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 18275719
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41442393
4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide
CID 24585387

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide (CID 7669993) is N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide is CCc1ccc([C@H](NC(=O)COc2ccccc2C)c2cccs2)cc1.
What is the InChIKey of N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is IQCZJPVUZHFIQA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-3-17-10-12-18(13-11-17)22(20-9-6-14-26-20)23-21(24)15-25-19-8-5-4-7-16(19)2/h4-14,22H,3,15H2,1-2H3,(H,23,24)/t22-/m0/s1.
What are the key properties of N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide?
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 365.50 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 7669993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).