N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C20H20N4O2S — CID 35039860

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2ncc(-c3ccccc3)[nH]2)c(C)c1
InChIInChI=1S/C20H20N4O2S/c1-13-8-9-16(14(2)10-13)22-19(26)24-18(25)12-27-20-21-11-17(23-20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,23)(H2,22,24,25,26)
InChIKeyZUEFURJZUNWMJW-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.13
Rot. Bonds5

About N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 35039860) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID35039860
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2ncc(-c3ccccc3)[nH]2)c(C)c1
InChIInChI=1S/C20H20N4O2S/c1-13-8-9-16(14(2)10-13)22-19(26)24-18(25)12-27-20-21-11-17(23-20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,23)(H2,22,24,25,26)
InChIKeyZUEFURJZUNWMJW-UHFFFAOYSA-N
XLogP4.13
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1451049
N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 856403
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27736148
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 25495577
N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577
4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide
CID 35039501
N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896869
N-(2-fluorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1116757
2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 16896885
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2336920
N-butan-2-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 42944884
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35040276

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 35039860) is N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)NC(=O)CSc2ncc(-c3ccccc3)[nH]2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZUEFURJZUNWMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-8-9-16(14(2)10-13)22-19(26)24-18(25)12-27-20-21-11-17(23-20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,23)(H2,22,24,25,26).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 35039860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).