2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide

C18H18N4O2S — CID 18161950

IUPAC2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C18H18N4O2S/c1-24-16-7-5-15(6-8-16)22-11-10-20-18(22)25-13-17(23)21-12-14-4-2-3-9-19-14/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyKBAIHDMZEHBDJY-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.68
Rot. Bonds7

About 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide

2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 18161950) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID18161950
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C18H18N4O2S/c1-24-16-7-5-15(6-8-16)22-11-10-20-18(22)25-13-17(23)21-12-14-4-2-3-9-19-14/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyKBAIHDMZEHBDJY-UHFFFAOYSA-N
XLogP2.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
N-[2-(2-methoxyphenyl)ethyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40661407
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 18163998
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 8002476
N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 40518450
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46826238
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3674449
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 36714567
2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
CID 41434287
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide (CID 18161950) is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(-n2ccnc2SCC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KBAIHDMZEHBDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-24-16-7-5-15(6-8-16)22-11-10-20-18(22)25-13-17(23)21-12-14-4-2-3-9-19-14/h2-11H,12-13H2,1H3,(H,21,23).
What are the key properties of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 18161950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).