N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide

C24H24N2O4S — CID 2097234

IUPACN-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-30-23-14-12-22(13-15-23)26(19-24(27)25-18-21-10-6-3-7-11-21)31(28,29)17-16-20-8-4-2-5-9-20/h2-17H,18-19H2,1H3,(H,25,27)/b17-16+
InChIKeyXFIUHNGZTSSYHQ-WUKNDPDISA-N
MW436.53 g/mol
LogP3.82
Rot. Bonds9

About N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide

N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide (PubChem CID 2097234) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
PubChem CID2097234
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-30-23-14-12-22(13-15-23)26(19-24(27)25-18-21-10-6-3-7-11-21)31(28,29)17-16-20-8-4-2-5-9-20/h2-17H,18-19H2,1H3,(H,25,27)/b17-16+
InChIKeyXFIUHNGZTSSYHQ-WUKNDPDISA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
CID 30883132
2-[N-(dimethylsulfamoyl)anilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2976396
methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate
CID 6212336
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1318473
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 126033598
2-(4-fluoro-N-[(E)-2-phenylethenyl]sulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 25470911
N-[(4-fluorophenyl)methyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427643
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 3109573
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28634203
N-benzyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998776
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 30128830

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide (CID 2097234) is N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide is COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide?
The InChIKey is XFIUHNGZTSSYHQ-WUKNDPDISA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-30-23-14-12-22(13-15-23)26(19-24(27)25-18-21-10-6-3-7-11-21)31(28,29)17-16-20-8-4-2-5-9-20/h2-17H,18-19H2,1H3,(H,25,27)/b17-16+.
What are the key properties of N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide?
N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide has a molecular weight of 436.53 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide is sourced from PubChem (CID 2097234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).