N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide

C18H22N2O2S — CID 71920146

IUPACN-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCOC(c3ccsc3)C2)c(C)c1
InChIInChI=1S/C18H22N2O2S/c1-13-3-4-16(14(2)9-13)19-18(21)11-20-6-7-22-17(10-20)15-5-8-23-12-15/h3-5,8-9,12,17H,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyLTZHNFNYXVHURX-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.38
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide

N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide (PubChem CID 71920146) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide
PubChem CID71920146
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCOC(c3ccsc3)C2)c(C)c1
InChIInChI=1S/C18H22N2O2S/c1-13-3-4-16(14(2)9-13)19-18(21)11-20-6-7-22-17(10-20)15-5-8-23-12-15/h3-5,8-9,12,17H,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyLTZHNFNYXVHURX-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 81497195
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide
CID 81497407
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 81497038
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
2-(2-methylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 51295683
N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655914
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 103576767
2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683929

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide (CID 71920146) is N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide is Cc1ccc(NC(=O)CN2CCOC(c3ccsc3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide?
The InChIKey is LTZHNFNYXVHURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-3-4-16(14(2)9-13)19-18(21)11-20-6-7-22-17(10-20)15-5-8-23-12-15/h3-5,8-9,12,17H,6-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide is sourced from PubChem (CID 71920146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).