N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

C16H20N2OS — CID 8925841

IUPACN-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCc1ccccc1CNC(=O)CN(C)Cc1ccsc1
InChIInChI=1S/C16H20N2OS/c1-13-5-3-4-6-15(13)9-17-16(19)11-18(2)10-14-7-8-20-12-14/h3-8,12H,9-11H2,1-2H3,(H,17,19)
InChIKeyZLTOBODQUFRBCX-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.80
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (PubChem CID 8925841) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
PubChem CID8925841
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCc1ccccc1CNC(=O)CN(C)Cc1ccsc1
InChIInChI=1S/C16H20N2OS/c1-13-5-3-4-6-15(13)9-17-16(19)11-18(2)10-14-7-8-20-12-14/h3-8,12H,9-11H2,1-2H3,(H,17,19)
InChIKeyZLTOBODQUFRBCX-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

2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 8539857
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964387
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62053567
2-[acetyl(benzyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113161182
2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054777
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925838
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62052197
2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013271
N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804591

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (CID 8925841) is N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is Cc1ccccc1CNC(=O)CN(C)Cc1ccsc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The InChIKey is ZLTOBODQUFRBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13-5-3-4-6-15(13)9-17-16(19)11-18(2)10-14-7-8-20-12-14/h3-8,12H,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-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-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 8925841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).