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

C19H19BrN2O4S — CID 17433895

IUPAC2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H19BrN2O4S/c1-3-12-22(13-19(24)21-17-8-6-16(20)7-9-17)27(25,26)18-10-4-15(5-11-18)14(2)23/h3-11H,1,12-13H2,2H3,(H,21,24)
InChIKeyODCXKNBBZPCMHZ-UHFFFAOYSA-N
MW451.34 g/mol
LogP3.47
Rot. Bonds8

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

2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide (PubChem CID 17433895) has the molecular formula C19H19BrN2O4S and a molecular weight of 451.34 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide
PubChem CID17433895
Molecular FormulaC19H19BrN2O4S
Molecular Weight451.34 g/mol
Exact Mass450.02
IUPAC Name2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H19BrN2O4S/c1-3-12-22(13-19(24)21-17-8-6-16(20)7-9-17)27(25,26)18-10-4-15(5-11-18)14(2)23/h3-11H,1,12-13H2,2H3,(H,21,24)
InChIKeyODCXKNBBZPCMHZ-UHFFFAOYSA-N
XLogP3.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 53.47
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

2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
CID 17443852
4-[[2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 55503201
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 2476440
methyl 4-[[2-[(4-bromophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 2242857
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
CID 4924122
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 2224277
N-(4-acetamidophenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083352
4-[[2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126072579
ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097504
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
CID 32510384

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide (CID 17433895) is 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide is C=CCN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide?
The InChIKey is ODCXKNBBZPCMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4S/c1-3-12-22(13-19(24)21-17-8-6-16(20)7-9-17)27(25,26)18-10-4-15(5-11-18)14(2)23/h3-11H,1,12-13H2,2H3,(H,21,24).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide?
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide has a molecular weight of 451.34 g/mol, XLogP of 3.47, 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-bromophenyl)acetamide is sourced from PubChem (CID 17433895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).