N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide

C18H20N2O4S — CID 1300615

IUPACN-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CC)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-17(21)19-13-5-9-15(10-6-13)25(23,24)16-11-7-14(8-12-16)20-18(22)4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyHKZJWOIZDJENQF-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.22
Rot. Bonds6

About N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide

N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide (PubChem CID 1300615) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide
PubChem CID1300615
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CC)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-17(21)19-13-5-9-15(10-6-13)25(23,24)16-11-7-14(8-12-16)20-18(22)4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyHKZJWOIZDJENQF-UHFFFAOYSA-N
XLogP3.22
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide?
The IUPAC name of N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide (CID 1300615) is N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide.
What is the SMILES notation for N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide?
The canonical SMILES for N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CC)cc2)cc1.
What is the InChIKey of N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide?
The InChIKey is HKZJWOIZDJENQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-17(21)19-13-5-9-15(10-6-13)25(23,24)16-11-7-14(8-12-16)20-18(22)4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide?
N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide has a molecular weight of 360.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide is sourced from PubChem (CID 1300615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).