2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide

C18H22N2OS — CID 60516341

IUPAC2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccsc2)C2CC2)c(C)c1
InChIInChI=1S/C18H22N2OS/c1-13-3-6-17(14(2)9-13)19-18(21)11-20(16-4-5-16)10-15-7-8-22-12-15/h3,6-9,12,16H,4-5,10-11H2,1-2H3,(H,19,21)
InChIKeyOJKQFRVEJOBRDM-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.97
Rot. Bonds6

About 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide

2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 60516341) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID60516341
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccsc2)C2CC2)c(C)c1
InChIInChI=1S/C18H22N2OS/c1-13-3-6-17(14(2)9-13)19-18(21)11-20(16-4-5-16)10-15-7-8-22-12-15/h3,6-9,12,16H,4-5,10-11H2,1-2H3,(H,19,21)
InChIKeyOJKQFRVEJOBRDM-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 60516285
N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054511
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 84567311
N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610928
2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 112801637
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide
CID 124726591
2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833237

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide (CID 60516341) is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2ccsc2)C2CC2)c(C)c1.
What is the InChIKey of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is OJKQFRVEJOBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13-3-6-17(14(2)9-13)19-18(21)11-20(16-4-5-16)10-15-7-8-22-12-15/h3,6-9,12,16H,4-5,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide?
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 314.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 60516341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).