2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide

C25H32N4O3S — CID 129055226

IUPAC2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
SMILESCCc1nccn1CC(=O)NC(C(=O)Nc1ccc(S(C)(C)C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C25H32N4O3S/c1-6-22-26-15-16-29(22)17-23(30)28-24(18-7-11-20(32-2)12-8-18)25(31)27-19-9-13-21(14-10-19)33(3,4)5/h7-16,24H,6,17H2,1-5H3,(H,27,31)(H,28,30)
InChIKeyRZIVZMMSQMIFBH-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.00
Rot. Bonds9

About 2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide

2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide (PubChem CID 129055226) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is 2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
PubChem CID129055226
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
SMILESCCc1nccn1CC(=O)NC(C(=O)Nc1ccc(S(C)(C)C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C25H32N4O3S/c1-6-22-26-15-16-29(22)17-23(30)28-24(18-7-11-20(32-2)12-8-18)25(31)27-19-9-13-21(14-10-19)33(3,4)5/h7-16,24H,6,17H2,1-5H3,(H,27,31)(H,28,30)
InChIKeyRZIVZMMSQMIFBH-UHFFFAOYSA-N
XLogP4.00
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055040
2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129054930
3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]propanamide
CID 129055214
2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055039
N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 75390344
N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 129055060
2-(1,2-diazabicyclo[2.1.0]pentan-2-yl)-N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]-2-methylpropanamide
CID 121321347
N-[3-cyano-4-(trimethyl-λ4-sulfanyl)phenyl]-2-(4-methoxyphenyl)-2-[[2-(4-oxo-1-pyridinyl)acetyl]amino]acetamide
CID 129055227
2-[amino-[2-(2-oxo-1-pyridinyl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 121321377
2-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406830
N-(4-propan-2-ylphenyl)-2-(2-propylimidazol-1-yl)acetamide
CID 71846694

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide (CID 129055226) is 2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide is CCc1nccn1CC(=O)NC(C(=O)Nc1ccc(S(C)(C)C)cc1)c1ccc(OC)cc1.
What is the InChIKey of 2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
The InChIKey is RZIVZMMSQMIFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-6-22-26-15-16-29(22)17-23(30)28-24(18-7-11-20(32-2)12-8-18)25(31)27-19-9-13-21(14-10-19)33(3,4)5/h7-16,24H,6,17H2,1-5H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?
2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide has a molecular weight of 468.62 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide is sourced from PubChem (CID 129055226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).