N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide

C18H17N3O3S — CID 6500432

IUPACN-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O3S/c1-13-12-21(18(19-13)15-6-4-3-5-7-15)25(23,24)17-10-8-16(9-11-17)20-14(2)22/h3-12H,1-2H3,(H,20,22)
InChIKeyIXLGARSIBMJXAH-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.05
Rot. Bonds4

About N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide

N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide (PubChem CID 6500432) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide
PubChem CID6500432
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O3S/c1-13-12-21(18(19-13)15-6-4-3-5-7-15)25(23,24)17-10-8-16(9-11-17)20-14(2)22/h3-12H,1-2H3,(H,20,22)
InChIKeyIXLGARSIBMJXAH-UHFFFAOYSA-N
XLogP3.05
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide (CID 6500432) is N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide?
The InChIKey is IXLGARSIBMJXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-13-12-21(18(19-13)15-6-4-3-5-7-15)25(23,24)17-10-8-16(9-11-17)20-14(2)22/h3-12H,1-2H3,(H,20,22).
What are the key properties of N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide?
N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-2-phenylimidazol-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 6500432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).