2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide

C19H27N3O3S — CID 42936011

IUPAC2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOCCn1c(SCC(=O)NC(C)c2ccccc2OC)nc(C)c1C
InChIInChI=1S/C19H27N3O3S/c1-13-15(3)22(10-11-24-4)19(21-13)26-12-18(23)20-14(2)16-8-6-7-9-17(16)25-5/h6-9,14H,10-12H2,1-5H3,(H,20,23)
InChIKeyUNTHJMRLJWNFPH-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.12
Rot. Bonds9

About 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide

2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 42936011) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID42936011
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOCCn1c(SCC(=O)NC(C)c2ccccc2OC)nc(C)c1C
InChIInChI=1S/C19H27N3O3S/c1-13-15(3)22(10-11-24-4)19(21-13)26-12-18(23)20-14(2)16-8-6-7-9-17(16)25-5/h6-9,14H,10-12H2,1-5H3,(H,20,23)
InChIKeyUNTHJMRLJWNFPH-UHFFFAOYSA-N
XLogP3.12
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55366480
N-[1-(2-methoxyphenyl)ethyl]-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 55366079
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 41137830
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 55640131
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882670
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882671
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55640445
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 33077344
2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 18191831
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51283315
(2S)-1-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylpropan-2-ol
CID 99800791

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide (CID 42936011) is 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide is COCCn1c(SCC(=O)NC(C)c2ccccc2OC)nc(C)c1C.
What is the InChIKey of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is UNTHJMRLJWNFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-13-15(3)22(10-11-24-4)19(21-13)26-12-18(23)20-14(2)16-8-6-7-9-17(16)25-5/h6-9,14H,10-12H2,1-5H3,(H,20,23).
What are the key properties of 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide?
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 377.51 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 42936011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).