4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

C28H26N2O4S — CID 134839001

IUPAC4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C/C=C/c2ccccc2)C(C#CN2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O4S/c1-23-14-16-26(17-15-23)35(32,33)30(19-8-11-24-9-4-2-5-10-24)27(25-12-6-3-7-13-25)18-20-29-21-22-34-28(29)31/h2-17,27H,19,21-22H2,1H3/b11-8+
InChIKeyBRFOZUFAGJOWAT-DHZHZOJOSA-N
MW486.59 g/mol
LogP4.85
Rot. Bonds7

About 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide (PubChem CID 134839001) has the molecular formula C28H26N2O4S and a molecular weight of 486.59 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
PubChem CID134839001
Molecular FormulaC28H26N2O4S
Molecular Weight486.59 g/mol
Exact Mass486.16
IUPAC Name4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C/C=C/c2ccccc2)C(C#CN2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O4S/c1-23-14-16-26(17-15-23)35(32,33)30(19-8-11-24-9-4-2-5-10-24)27(25-12-6-3-7-13-25)18-20-29-21-22-34-28(29)31/h2-17,27H,19,21-22H2,1H3/b11-8+
InChIKeyBRFOZUFAGJOWAT-DHZHZOJOSA-N
XLogP4.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide (CID 134839001) is 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C/C=C/c2ccccc2)C(C#CN2CCOC2=O)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The InChIKey is BRFOZUFAGJOWAT-DHZHZOJOSA-N. The full InChI is InChI=1S/C28H26N2O4S/c1-23-14-16-26(17-15-23)35(32,33)30(19-8-11-24-9-4-2-5-10-24)27(25-12-6-3-7-13-25)18-20-29-21-22-34-28(29)31/h2-17,27H,19,21-22H2,1H3/b11-8+.
What are the key properties of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide has a molecular weight of 486.59 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 134839001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).