N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide

C17H18N2O4S — CID 95559450

IUPACN-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1
InChIInChI=1S/C17H18N2O4S/c1-11-10-16(8-9-17(11)19-13(3)21)24(22,23)15-6-4-14(5-7-15)18-12(2)20/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyXNGUTRYSNYGMHH-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.74
Rot. Bonds4

About N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide

N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide (PubChem CID 95559450) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide
PubChem CID95559450
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1
InChIInChI=1S/C17H18N2O4S/c1-11-10-16(8-9-17(11)19-13(3)21)24(22,23)15-6-4-14(5-7-15)18-12(2)20/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyXNGUTRYSNYGMHH-UHFFFAOYSA-N
XLogP2.74
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide (CID 95559450) is N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1.
What is the InChIKey of N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide?
The InChIKey is XNGUTRYSNYGMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-10-16(8-9-17(11)19-13(3)21)24(22,23)15-6-4-14(5-7-15)18-12(2)20/h4-10H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide?
N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-3-methylphenyl)sulfonylphenyl]acetamide is sourced from PubChem (CID 95559450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).