N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide

C18H23NO2S — CID 155945653

IUPACN-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCN(Cc1cccs1)C(=O)C(O)C(C)c1ccc(C)cc1
InChIInChI=1S/C18H23NO2S/c1-4-19(12-16-6-5-11-22-16)18(21)17(20)14(3)15-9-7-13(2)8-10-15/h5-11,14,17,20H,4,12H2,1-3H3
InChIKeyZOHUUIBNLYFEEM-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.57
Rot. Bonds6

About N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide

N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 155945653) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID155945653
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCN(Cc1cccs1)C(=O)C(O)C(C)c1ccc(C)cc1
InChIInChI=1S/C18H23NO2S/c1-4-19(12-16-6-5-11-22-16)18(21)17(20)14(3)15-9-7-13(2)8-10-15/h5-11,14,17,20H,4,12H2,1-3H3
InChIKeyZOHUUIBNLYFEEM-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 67512330
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 138547765
1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea
CID 61438232
N-[1-[ethyl(thiophen-2-ylmethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134019558
N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 45351967
3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide
CID 104502284

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide (CID 155945653) is N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide is CCN(Cc1cccs1)C(=O)C(O)C(C)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is ZOHUUIBNLYFEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-4-19(12-16-6-5-11-22-16)18(21)17(20)14(3)15-9-7-13(2)8-10-15/h5-11,14,17,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide?
N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 317.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 155945653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).