N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide

C19H25N3O2S — CID 18124910

IUPACN-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CN(C)C(C)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-13-7-5-8-14(2)19(13)21-17(23)11-20-18(24)12-22(4)15(3)16-9-6-10-25-16/h5-10,15H,11-12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyHXCBPDJVHBAZNC-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.11
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide (PubChem CID 18124910) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide
PubChem CID18124910
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CN(C)C(C)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-13-7-5-8-14(2)19(13)21-17(23)11-20-18(24)12-22(4)15(3)16-9-6-10-25-16/h5-10,15H,11-12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyHXCBPDJVHBAZNC-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 40809350
N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18124847
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 47281346
N-(2,6-dimethylphenyl)-2-[1-(2-methoxyphenyl)ethyl-methylamino]acetamide
CID 86931156
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18127362
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119684604
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112997000
N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide
CID 9251811
ethyl 2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]benzoate
CID 18124855

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide (CID 18124910) is N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide is Cc1cccc(C)c1NC(=O)CNC(=O)CN(C)C(C)c1cccs1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide?
The InChIKey is HXCBPDJVHBAZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13-7-5-8-14(2)19(13)21-17(23)11-20-18(24)12-22(4)15(3)16-9-6-10-25-16/h5-10,15H,11-12H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 18124910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).