N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

C21H23N3O2S — CID 41473322

IUPACN-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nccn1-c1ccc(OC)cc1)c1ccccc1C
InChIInChI=1S/C21H23N3O2S/c1-4-23(19-8-6-5-7-16(19)2)20(25)15-27-21-22-13-14-24(21)17-9-11-18(26-3)12-10-17/h5-14H,4,15H2,1-3H3
InChIKeyUUSANFJYSUQTBT-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.33
Rot. Bonds7

About N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide

N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 41473322) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID41473322
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nccn1-c1ccc(OC)cc1)c1ccccc1C
InChIInChI=1S/C21H23N3O2S/c1-4-23(19-8-6-5-7-16(19)2)20(25)15-27-21-22-13-14-24(21)17-9-11-18(26-3)12-10-17/h5-14H,4,15H2,1-3H3
InChIKeyUUSANFJYSUQTBT-UHFFFAOYSA-N
XLogP4.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoate
CID 60600653
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
N-ethyl-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 16516447
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 40684880
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
N-(2,6-dimethylphenyl)-2-[4-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
CID 39761968
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 18163998
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 39757176
N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
CID 47502733
5-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpentan-2-one
CID 134005509
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3674449

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide (CID 41473322) is N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is CCN(C(=O)CSc1nccn1-c1ccc(OC)cc1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is UUSANFJYSUQTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-4-23(19-8-6-5-7-16(19)2)20(25)15-27-21-22-13-14-24(21)17-9-11-18(26-3)12-10-17/h5-14H,4,15H2,1-3H3.
What are the key properties of N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide?
N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 41473322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).