2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C18H24N2O2S — CID 111487300

IUPAC2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(O)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O2S/c1-3-20(12-17(21)15-8-6-14(2)7-9-15)13-18(22)19-11-16-5-4-10-23-16/h4-10,17,21H,3,11-13H2,1-2H3,(H,19,22)
InChIKeyDZBWYVYVKHOEAD-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.73
Rot. Bonds8

About 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 111487300) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID111487300
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(O)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O2S/c1-3-20(12-17(21)15-8-6-14(2)7-9-15)13-18(22)19-11-16-5-4-10-23-16/h4-10,17,21H,3,11-13H2,1-2H3,(H,19,22)
InChIKeyDZBWYVYVKHOEAD-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide
CID 111489932
2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17498277
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905918
N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111497107
3-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-propan-2-ylamino]propanoic acid
CID 60832973
2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905810
2-[[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
CID 95310128
2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
CID 95310127
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,2-diphenylacetamide
CID 4782981
2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8906157
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetamide
CID 8906099

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 111487300) is 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)CC(O)c1ccc(C)cc1.
What is the InChIKey of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DZBWYVYVKHOEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-20(12-17(21)15-8-6-14(2)7-9-15)13-18(22)19-11-16-5-4-10-23-16/h4-10,17,21H,3,11-13H2,1-2H3,(H,19,22).
What are the key properties of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 332.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 111487300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).