N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide

C19H19N3OS — CID 46772928

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C19H19N3OS/c1-15-2-8-18(9-3-15)24-13-19(23)21-12-16-4-6-17(7-5-16)22-11-10-20-14-22/h2-11,14H,12-13H2,1H3,(H,21,23)
InChIKeyWFWGNWSCZQYRFF-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.59
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide

N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 46772928) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID46772928
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C19H19N3OS/c1-15-2-8-18(9-3-15)24-13-19(23)21-12-16-4-6-17(7-5-16)22-11-10-20-14-22/h2-11,14H,12-13H2,1H3,(H,21,23)
InChIKeyWFWGNWSCZQYRFF-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 92678471
N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide
CID 166212139
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
2-(4-methylphenyl)sulfanyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 99970874
N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
CID 34827481
2-(4-chlorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 34906705
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide
CID 51332839
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 92678156
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 41412961

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide (CID 46772928) is N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is WFWGNWSCZQYRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-15-2-8-18(9-3-15)24-13-19(23)21-12-16-4-6-17(7-5-16)22-11-10-20-14-22/h2-11,14H,12-13H2,1H3,(H,21,23).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 337.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 46772928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).