2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide

C12H16N2O2S — CID 103104035

IUPAC2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide
SMILESCCN(CC(N)=O)Cc1sccc1C#CCO
InChIInChI=1S/C12H16N2O2S/c1-2-14(9-12(13)16)8-11-10(4-3-6-15)5-7-17-11/h5,7,15H,2,6,8-9H2,1H3,(H2,13,16)
InChIKeyRQZGBEFGKKMDST-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.40
Rot. Bonds5

About 2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide

2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide (PubChem CID 103104035) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide
PubChem CID103104035
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide
SMILESCCN(CC(N)=O)Cc1sccc1C#CCO
InChIInChI=1S/C12H16N2O2S/c1-2-14(9-12(13)16)8-11-10(4-3-6-15)5-7-17-11/h5,7,15H,2,6,8-9H2,1H3,(H2,13,16)
InChIKeyRQZGBEFGKKMDST-UHFFFAOYSA-N
XLogP0.40
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 71972396
2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
CID 46989771
2-[(3-Methylthiophen-2-yl)methyl-propan-2-ylamino]acetamide
CID 47551834
1-{[4-(3-Hydroxyprop-1-yn-1-yl)-2-thienyl]methyl}-1,4-diazepan-5-one
CID 63003460
4-{[4-(3-Hydroxyprop-1-yn-1-yl)-2-thienyl]methyl}-1,4-diazepan-2-one
CID 65366257
N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71972313
2-({[5-(3-hydroxyprop-1-yn-1-yl)-2-thienyl]methyl}amino)-N,N-dimethylacetamide
CID 131935810
3,3,3-trifluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]propanamide
CID 80481836
2-[(3-Methylthiophen-2-yl)methylamino]propanamide
CID 43402383
N-hydroxy-2-[propyl(thiophen-2-ylmethyl)amino]acetamide
CID 59105569
2-[Propyl(thiophen-2-ylmethyl)amino]acetamide
CID 163847737
N',N'-bis[(3-methylthiophen-2-yl)methyl]oxamide
CID 175234388

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide?
The IUPAC name of 2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide (CID 103104035) is 2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide.
What is the SMILES notation for 2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide?
The canonical SMILES for 2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide is CCN(CC(N)=O)Cc1sccc1C#CCO.
What is the InChIKey of 2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide?
The InChIKey is RQZGBEFGKKMDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-14(9-12(13)16)8-11-10(4-3-6-15)5-7-17-11/h5,7,15H,2,6,8-9H2,1H3,(H2,13,16).
What are the key properties of 2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide?
2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide has a molecular weight of 252.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 103104035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).