N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide

C21H21N3O3S — CID 22585532

IUPACN-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H21N3O3S/c1-15(25)16-7-9-18(10-8-16)23-20(26)14-28-21-22-11-12-24(21)13-17-5-3-4-6-19(17)27-2/h3-12H,13-14H2,1-2H3,(H,23,26)
InChIKeySCFWTNIYLLBAAJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.87
Rot. Bonds8

About N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide

N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 22585532) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID22585532
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H21N3O3S/c1-15(25)16-7-9-18(10-8-16)23-20(26)14-28-21-22-11-12-24(21)13-17-5-3-4-6-19(17)27-2/h3-12H,13-14H2,1-2H3,(H,23,26)
InChIKeySCFWTNIYLLBAAJ-UHFFFAOYSA-N
XLogP3.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 26816811
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 22585512
N-(1,3-benzodioxol-5-yl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22585526
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 29063574
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 26816808
N-(4-acetylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
CID 7151131
N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150946
N-(2-methoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 4878749
2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 22585488
2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 7151072
N-(4-bromophenyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22583676
N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92644901

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 22585532) is N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide is COc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is SCFWTNIYLLBAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15(25)16-7-9-18(10-8-16)23-20(26)14-28-21-22-11-12-24(21)13-17-5-3-4-6-19(17)27-2/h3-12H,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 395.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 22585532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).