2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide

C19H18ClFN2O4S — CID 2476440

IUPAC2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccc(Cl)cc1F)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H18ClFN2O4S/c1-3-10-23(12-19(25)22-18-9-6-15(20)11-17(18)21)28(26,27)16-7-4-14(5-8-16)13(2)24/h3-9,11H,1,10,12H2,2H3,(H,22,25)
InChIKeySSRAELXRCQXFQT-UHFFFAOYSA-N
MW424.88 g/mol
LogP3.50
Rot. Bonds8

About 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide

2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide (PubChem CID 2476440) has the molecular formula C19H18ClFN2O4S and a molecular weight of 424.88 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide
PubChem CID2476440
Molecular FormulaC19H18ClFN2O4S
Molecular Weight424.88 g/mol
Exact Mass424.07
IUPAC Name2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccc(Cl)cc1F)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H18ClFN2O4S/c1-3-10-23(12-19(25)22-18-9-6-15(20)11-17(18)21)28(26,27)16-7-4-14(5-8-16)13(2)24/h3-9,11H,1,10,12H2,2H3,(H,22,25)
InChIKeySSRAELXRCQXFQT-UHFFFAOYSA-N
XLogP3.50
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]acetamide
CID 17398186
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
CID 17443852
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide
CID 17433895
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 24661139
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 55327618
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(2,5-difluorophenyl)acetamide
CID 28547200
N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2990028
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide
CID 42989106
N-(2-benzoyl-4-chlorophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 45372698
N-(4-chloro-2-fluorophenyl)pent-4-enamide
CID 155976880
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2,4-dichlorophenyl)acetamide
CID 3950421
3-(4-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423865

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide (CID 2476440) is 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide is C=CCN(CC(=O)Nc1ccc(Cl)cc1F)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide?
The InChIKey is SSRAELXRCQXFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O4S/c1-3-10-23(12-19(25)22-18-9-6-15(20)11-17(18)21)28(26,27)16-7-4-14(5-8-16)13(2)24/h3-9,11H,1,10,12H2,2H3,(H,22,25).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide?
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide has a molecular weight of 424.88 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 2476440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).