(E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide

C24H22FNO3S — CID 142958817

IUPAC(E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide
SMILESC/C(Cc1ccc(S(C)(=O)=O)cc1)=C(\C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H22FNO3S/c1-17(16-18-8-14-22(15-9-18)30(2,28)29)23(19-6-4-3-5-7-19)24(27)26-21-12-10-20(25)11-13-21/h3-15H,16H2,1-2H3,(H,26,27)/b23-17+
InChIKeyOACMSOGKAPMYQQ-HAVVHWLPSA-N
MW423.51 g/mol
LogP4.88
Rot. Bonds6

About (E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide

(E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide (PubChem CID 142958817) has the molecular formula C24H22FNO3S and a molecular weight of 423.51 g/mol. Its IUPAC name is (E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide
PubChem CID142958817
Molecular FormulaC24H22FNO3S
Molecular Weight423.51 g/mol
Exact Mass423.13
IUPAC Name(E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide
SMILESC/C(Cc1ccc(S(C)(=O)=O)cc1)=C(\C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H22FNO3S/c1-17(16-18-8-14-22(15-9-18)30(2,28)29)23(19-6-4-3-5-7-19)24(27)26-21-12-10-20(25)11-13-21/h3-15H,16H2,1-2H3,(H,26,27)/b23-17+
InChIKeyOACMSOGKAPMYQQ-HAVVHWLPSA-N
XLogP4.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 18195960
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3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide
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(Z)-3-anilino-N,2,4-triphenylbut-2-enamide
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N-benzyl-2-(4-methylsulfonylphenyl)acetamide
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N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
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N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
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N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
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CID 20931904

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide?
The IUPAC name of (E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide (CID 142958817) is (E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide.
What is the SMILES notation for (E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide?
The canonical SMILES for (E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide is C/C(Cc1ccc(S(C)(=O)=O)cc1)=C(\C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide?
The InChIKey is OACMSOGKAPMYQQ-HAVVHWLPSA-N. The full InChI is InChI=1S/C24H22FNO3S/c1-17(16-18-8-14-22(15-9-18)30(2,28)29)23(19-6-4-3-5-7-19)24(27)26-21-12-10-20(25)11-13-21/h3-15H,16H2,1-2H3,(H,26,27)/b23-17+.
What are the key properties of (E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide?
(E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide has a molecular weight of 423.51 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide is sourced from PubChem (CID 142958817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).