2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide

C15H19N3O3S — CID 131917412

IUPAC2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)N(CCO)Cc2nccn2C)cs1
InChIInChI=1S/C15H19N3O3S/c1-11(20)13-7-12(10-22-13)8-15(21)18(5-6-19)9-14-16-3-4-17(14)2/h3-4,7,10,19H,5-6,8-9H2,1-2H3
InChIKeyHDADEGRXQDGYPC-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.25
Rot. Bonds7

About 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide

2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 131917412) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID131917412
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)N(CCO)Cc2nccn2C)cs1
InChIInChI=1S/C15H19N3O3S/c1-11(20)13-7-12(10-22-13)8-15(21)18(5-6-19)9-14-16-3-4-17(14)2/h3-4,7,10,19H,5-6,8-9H2,1-2H3
InChIKeyHDADEGRXQDGYPC-UHFFFAOYSA-N
XLogP1.25
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-acetylthiophen-3-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylacetamide;formic acid
CID 154913459
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(2R)-N-(2-hydroxyethyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 126444953
3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea
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1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-nitrothiophen-2-yl]ethanone
CID 115964141
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CID 77079286
1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 126447567
4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61063163
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CID 47000347

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 131917412) is 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide is CC(=O)c1cc(CC(=O)N(CCO)Cc2nccn2C)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is HDADEGRXQDGYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11(20)13-7-12(10-22-13)8-15(21)18(5-6-19)9-14-16-3-4-17(14)2/h3-4,7,10,19H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 131917412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).