2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide

C22H24N2OS — CID 46614583

IUPAC2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)CC(=O)NC(c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C22H24N2OS/c1-17-10-12-18(13-11-17)15-24(2)16-21(25)23-22(20-9-6-14-26-20)19-7-4-3-5-8-19/h3-14,22H,15-16H2,1-2H3,(H,23,25)
InChIKeyIJTXNWIGODIUJI-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.39
Rot. Bonds7

About 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide

2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 46614583) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID46614583
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)CC(=O)NC(c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C22H24N2OS/c1-17-10-12-18(13-11-17)15-24(2)16-21(25)23-22(20-9-6-14-26-20)19-7-4-3-5-8-19/h3-14,22H,15-16H2,1-2H3,(H,23,25)
InChIKeyIJTXNWIGODIUJI-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786221
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8924830
2-[methyl(2-phenoxyethyl)amino]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 51565240
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]acetamide
CID 8554161
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8693276
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46607871
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682654
2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499470
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 26515915

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 46614583) is 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide is Cc1ccc(CN(C)CC(=O)NC(c2ccccc2)c2cccs2)cc1.
What is the InChIKey of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is IJTXNWIGODIUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-17-10-12-18(13-11-17)15-24(2)16-21(25)23-22(20-9-6-14-26-20)19-7-4-3-5-8-19/h3-14,22H,15-16H2,1-2H3,(H,23,25).
What are the key properties of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 364.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 46614583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).