2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide

C20H24N2O4S — CID 1370321

IUPAC2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-13(2)19(23)21-15-7-5-9-17(11-15)27(25,26)18-10-6-8-16(12-18)22-20(24)14(3)4/h5-14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyAUJFZVJMUKLQJZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.71
Rot. Bonds6

About 2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide

2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide (PubChem CID 1370321) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide
PubChem CID1370321
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-13(2)19(23)21-15-7-5-9-17(11-15)27(25,26)18-10-6-8-16(12-18)22-20(24)14(3)4/h5-14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyAUJFZVJMUKLQJZ-UHFFFAOYSA-N
XLogP3.71
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide (CID 1370321) is 2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide is CC(C)C(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C(C)C)c2)c1.
What is the InChIKey of 2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide?
The InChIKey is AUJFZVJMUKLQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13(2)19(23)21-15-7-5-9-17(11-15)27(25,26)18-10-6-8-16(12-18)22-20(24)14(3)4/h5-14H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide?
2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[3-(2-methylpropanoylamino)phenyl]sulfonylphenyl]propanamide is sourced from PubChem (CID 1370321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).