N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide

C16H21N3O2S — CID 118788982

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCOCCn1cncc1CNC(=O)CSc1ccccc1C
InChIInChI=1S/C16H21N3O2S/c1-13-5-3-4-6-15(13)22-11-16(20)18-10-14-9-17-12-19(14)7-8-21-2/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyYURUJNMCDFBDJA-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.25
Rot. Bonds8

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 118788982) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID118788982
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCOCCn1cncc1CNC(=O)CSc1ccccc1C
InChIInChI=1S/C16H21N3O2S/c1-13-5-3-4-6-15(13)22-11-16(20)18-10-14-9-17-12-19(14)7-8-21-2/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyYURUJNMCDFBDJA-UHFFFAOYSA-N
XLogP2.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676
2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
CID 135110031
(2R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 126431414
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
CID 118771778
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 119066697
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 50953394
2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483315
(2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126439982
4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
CID 91773799
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide
CID 122563016

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide (CID 118788982) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide is COCCn1cncc1CNC(=O)CSc1ccccc1C.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is YURUJNMCDFBDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-13-5-3-4-6-15(13)22-11-16(20)18-10-14-9-17-12-19(14)7-8-21-2/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 118788982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).