(E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide

C18H17NO3S — CID 69484131

IUPAC(E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide
SMILESO=C(/C=C/c1ccccc1)CS(=O)(=O)N/C=C/c1ccccc1
InChIInChI=1S/C18H17NO3S/c20-18(12-11-16-7-3-1-4-8-16)15-23(21,22)19-14-13-17-9-5-2-6-10-17/h1-14,19H,15H2/b12-11+,14-13+
InChIKeyPZBVEECXZHMNEO-LDHFCIDVSA-N
MW327.41 g/mol
LogP2.86
Rot. Bonds7

About (E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide

(E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide (PubChem CID 69484131) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is (E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide
PubChem CID69484131
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name(E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide
SMILESO=C(/C=C/c1ccccc1)CS(=O)(=O)N/C=C/c1ccccc1
InChIInChI=1S/C18H17NO3S/c20-18(12-11-16-7-3-1-4-8-16)15-23(21,22)19-14-13-17-9-5-2-6-10-17/h1-14,19H,15H2/b12-11+,14-13+
InChIKeyPZBVEECXZHMNEO-LDHFCIDVSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide with MolForge

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Related Compounds

(E)-2,4-dioxo-6-phenylhex-5-enal
CID 144721272
2,4-dioxo-6-phenylhex-5-enoic acid
CID 54380615
(E)-1-naphthalen-1-ylsulfonyl-4-phenylbut-3-en-2-one
CID 102044266
4-(4-methoxy-3-nitrophenyl)-N-[2-(4-methoxy-3-nitrophenyl)ethenyl]-2-oxobut-3-ene-1-sulfonamide
CID 173173903
6,6-dimethyl-1-phenylhept-1-ene-3,5-dione
CID 54280187
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid
CID 56623762
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954
1-(benzenesulfonyl)-4-(4-tert-butylphenyl)but-3-en-2-one
CID 141101643
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
5-oxo-7-phenylhept-6-enoic acid
CID 72745047

Frequently Asked Questions

What is the IUPAC name of (E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide?
The IUPAC name of (E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide (CID 69484131) is (E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide.
What is the SMILES notation for (E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide?
The canonical SMILES for (E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide is O=C(/C=C/c1ccccc1)CS(=O)(=O)N/C=C/c1ccccc1.
What is the InChIKey of (E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide?
The InChIKey is PZBVEECXZHMNEO-LDHFCIDVSA-N. The full InChI is InChI=1S/C18H17NO3S/c20-18(12-11-16-7-3-1-4-8-16)15-23(21,22)19-14-13-17-9-5-2-6-10-17/h1-14,19H,15H2/b12-11+,14-13+.
What are the key properties of (E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide?
(E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-oxo-4-phenyl-N-[(E)-2-phenylethenyl]but-3-ene-1-sulfonamide is sourced from PubChem (CID 69484131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).