N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide

C16H20N2OS — CID 47294418

IUPACN-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide
SMILESCc1ccc(C)c(N(C)CC(=O)NCc2cccs2)c1
InChIInChI=1S/C16H20N2OS/c1-12-6-7-13(2)15(9-12)18(3)11-16(19)17-10-14-5-4-8-20-14/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyIKTCJARNNULQRY-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.12
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide

N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide (PubChem CID 47294418) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide
PubChem CID47294418
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide
SMILESCc1ccc(C)c(N(C)CC(=O)NCc2cccs2)c1
InChIInChI=1S/C16H20N2OS/c1-12-6-7-13(2)15(9-12)18(3)11-16(19)17-10-14-5-4-8-20-14/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyIKTCJARNNULQRY-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(N,2,5-trimethylanilino)acetamide
CID 60525035
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
N-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 25409724
2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905810
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905918
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766
N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
CID 51362734
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide (CID 47294418) is N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide is Cc1ccc(C)c(N(C)CC(=O)NCc2cccs2)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide?
The InChIKey is IKTCJARNNULQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-6-7-13(2)15(9-12)18(3)11-16(19)17-10-14-5-4-8-20-14/h4-9H,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide?
N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide has a molecular weight of 288.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide is sourced from PubChem (CID 47294418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).