N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide

C23H25N3O3S — CID 1451099

IUPACN-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide
SMILESCCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C23H25N3O3S/c1-4-12-26-21(17-8-10-20(29-3)11-9-17)14-24-23(26)30-15-22(28)25-19-7-5-6-18(13-19)16(2)27/h5-11,13-14H,4,12,15H2,1-3H3,(H,25,28)
InChIKeyKFBLJCUIDBPKLD-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.90
Rot. Bonds9

About N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide

N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide (PubChem CID 1451099) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide
PubChem CID1451099
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide
SMILESCCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C23H25N3O3S/c1-4-12-26-21(17-8-10-20(29-3)11-9-17)14-24-23(26)30-15-22(28)25-19-7-5-6-18(13-19)16(2)27/h5-11,13-14H,4,12,15H2,1-3H3,(H,25,28)
InChIKeyKFBLJCUIDBPKLD-UHFFFAOYSA-N
XLogP4.90
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17302852
N-(3,5-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 18569187
N-(3-acetylphenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500681
3-[[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
CID 3968916
N-(3-acetamidophenyl)-2-[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 24793674
propyl 3-[[2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 126363235
N-(1,3-benzodioxol-5-yl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 18569195
2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18569191
N-(3-acetylphenyl)-2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 996644
N-(3-acetylphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1075024
methyl 3-[[2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 1457184
2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 40692341

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide (CID 1451099) is N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide is CCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide?
The InChIKey is KFBLJCUIDBPKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-4-12-26-21(17-8-10-20(29-3)11-9-17)14-24-23(26)30-15-22(28)25-19-7-5-6-18(13-19)16(2)27/h5-11,13-14H,4,12,15H2,1-3H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide?
N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide has a molecular weight of 423.54 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[5-(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 1451099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).