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

C16H20N2OS — CID 26512957

IUPACN-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1ccc(CNC(=O)CN(C)Cc2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-13-5-7-14(8-6-13)10-17-16(19)12-18(2)11-15-4-3-9-20-15/h3-9H,10-12H2,1-2H3,(H,17,19)
InChIKeyZSCGDMUVSLPMOI-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.80
Rot. Bonds6

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

N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 26512957) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID26512957
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1ccc(CNC(=O)CN(C)Cc2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-13-5-7-14(8-6-13)10-17-16(19)12-18(2)11-15-4-3-9-20-15/h3-9H,10-12H2,1-2H3,(H,17,19)
InChIKeyZSCGDMUVSLPMOI-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46571619
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 166216279
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 120900523
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 18276993
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3206933
N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide
CID 47294418
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 26512957) is N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is Cc1ccc(CNC(=O)CN(C)Cc2cccs2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is ZSCGDMUVSLPMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13-5-7-14(8-6-13)10-17-16(19)12-18(2)11-15-4-3-9-20-15/h3-9H,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 288.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 26512957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).