3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide

C17H23N3OS — CID 131926060

IUPAC3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
SMILESCCc1nccn1CCC(=O)NCc1csc2c1CCCC2
InChIInChI=1S/C17H23N3OS/c1-2-16-18-8-10-20(16)9-7-17(21)19-11-13-12-22-15-6-4-3-5-14(13)15/h8,10,12H,2-7,9,11H2,1H3,(H,19,21)
InChIKeyLKYVDJXFTOOGAB-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.09
Rot. Bonds6

About 3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide

3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide (PubChem CID 131926060) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
PubChem CID131926060
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
SMILESCCc1nccn1CCC(=O)NCc1csc2c1CCCC2
InChIInChI=1S/C17H23N3OS/c1-2-16-18-8-10-20(16)9-7-17(21)19-11-13-12-22-15-6-4-3-5-14(13)15/h8,10,12H,2-7,9,11H2,1H3,(H,19,21)
InChIKeyLKYVDJXFTOOGAB-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 131913488
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131937873
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131935821
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
CID 118794770
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 122557693
3-(2-ethylimidazol-1-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 131900320
3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 131889023
3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide
CID 62325908
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide
CID 124952350
3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide
CID 62325743
N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide
CID 62325583

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide (CID 131926060) is 3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide is CCc1nccn1CCC(=O)NCc1csc2c1CCCC2.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide?
The InChIKey is LKYVDJXFTOOGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-2-16-18-8-10-20(16)9-7-17(21)19-11-13-12-22-15-6-4-3-5-14(13)15/h8,10,12H,2-7,9,11H2,1H3,(H,19,21).
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide?
3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide has a molecular weight of 317.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 131926060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).