4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide

C22H22N2O3S — CID 24585387

IUPAC4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide
SMILESCc1ccc(C(NC(=O)COc2cc(C)ccc2C(N)=O)c2cccs2)cc1
InChIInChI=1S/C22H22N2O3S/c1-14-5-8-16(9-6-14)21(19-4-3-11-28-19)24-20(25)13-27-18-12-15(2)7-10-17(18)22(23)26/h3-12,21H,13H2,1-2H3,(H2,23,26)(H,24,25)
InChIKeyGRUJIZHWPZBWCM-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.75
Rot. Bonds7

About 4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide

4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 24585387) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide
PubChem CID24585387
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide
SMILESCc1ccc(C(NC(=O)COc2cc(C)ccc2C(N)=O)c2cccs2)cc1
InChIInChI=1S/C22H22N2O3S/c1-14-5-8-16(9-6-14)21(19-4-3-11-28-19)24-20(25)13-27-18-12-15(2)7-10-17(18)22(23)26/h3-12,21H,13H2,1-2H3,(H2,23,26)(H,24,25)
InChIKeyGRUJIZHWPZBWCM-UHFFFAOYSA-N
XLogP3.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 8854678
2-(3-methyl-2-nitrophenoxy)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 112828270
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
2-(4-cyano-2-ethoxyphenoxy)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55391592
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide
CID 17492974
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41442393
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide
CID 7669993
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
2-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853842
2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide (CID 24585387) is 4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide is Cc1ccc(C(NC(=O)COc2cc(C)ccc2C(N)=O)c2cccs2)cc1.
What is the InChIKey of 4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is GRUJIZHWPZBWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-14-5-8-16(9-6-14)21(19-4-3-11-28-19)24-20(25)13-27-18-12-15(2)7-10-17(18)22(23)26/h3-12,21H,13H2,1-2H3,(H2,23,26)(H,24,25).
What are the key properties of 4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide?
4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 24585387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).