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

C21H22N4O3S — CID 26816811

IUPACN-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-15(26)23-17-7-9-18(10-8-17)24-20(27)14-29-21-22-11-12-25(21)13-16-5-3-4-6-19(16)28-2/h3-12H,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZJHLRVOBRXXIRW-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.63
Rot. Bonds8

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

N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 26816811) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID26816811
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-15(26)23-17-7-9-18(10-8-17)24-20(27)14-29-21-22-11-12-25(21)13-16-5-3-4-6-19(16)28-2/h3-12H,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZJHLRVOBRXXIRW-UHFFFAOYSA-N
XLogP3.63
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22585532
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-acetamidophenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151038
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-(2-methoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 4878749
N-(3-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22585503
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 26816811) is N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide is COc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is ZJHLRVOBRXXIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-15(26)23-17-7-9-18(10-8-17)24-20(27)14-29-21-22-11-12-25(21)13-16-5-3-4-6-19(16)28-2/h3-12H,13-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 410.50 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 26816811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).