N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C20H20N4O2S — CID 17138635

IUPACN-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)[nH]2)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-19(15-6-4-3-5-7-15)24-20(21-13)27-12-18(26)23-17-10-8-16(9-11-17)22-14(2)25/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWGSVNUYKYVZKFD-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.07
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 17138635) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID17138635
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)[nH]2)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-19(15-6-4-3-5-7-15)24-20(21-13)27-12-18(26)23-17-10-8-16(9-11-17)22-14(2)25/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWGSVNUYKYVZKFD-UHFFFAOYSA-N
XLogP4.07
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 6500458
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 1286376
N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577
N-[4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 11796749
N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
CID 135280728
N-(4-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 17017890
N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2478928
N-(4-acetylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135496922
N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2229086
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[6-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-phenylquinazolin-2-yl]phenyl]acetamide
CID 17325163
N-(4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135450400
N-(4-hydroxyphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135552414

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 17138635) is N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)[nH]2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is WGSVNUYKYVZKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-19(15-6-4-3-5-7-15)24-20(21-13)27-12-18(26)23-17-10-8-16(9-11-17)22-14(2)25/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 17138635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).