N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide

C21H26N2O5S — CID 4788074

IUPACN-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C21H26N2O5S/c1-6-11-23(29(25,26)18-9-7-15(2)16(3)12-18)14-21(24)22-17-8-10-19(27-4)20(13-17)28-5/h6-10,12-13H,1,11,14H2,2-5H3,(H,22,24)
InChIKeyZLHVJUSVHSHJKT-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.14
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide

N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide (PubChem CID 4788074) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide
PubChem CID4788074
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C21H26N2O5S/c1-6-11-23(29(25,26)18-9-7-15(2)16(3)12-18)14-21(24)22-17-8-10-19(27-4)20(13-17)28-5/h6-10,12-13H,1,11,14H2,2-5H3,(H,22,24)
InChIKeyZLHVJUSVHSHJKT-UHFFFAOYSA-N
XLogP3.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
CID 32510384
N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343967
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126062078
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 126010723
4-[[2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 55503201
N-(1,3-benzodioxol-5-yl)-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645488
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 53280565
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26055242
N-(3-bromo-4-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148168
ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097504

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide (CID 4788074) is N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide is C=CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide?
The InChIKey is ZLHVJUSVHSHJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-6-11-23(29(25,26)18-9-7-15(2)16(3)12-18)14-21(24)22-17-8-10-19(27-4)20(13-17)28-5/h6-10,12-13H,1,11,14H2,2-5H3,(H,22,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide has a molecular weight of 418.52 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide is sourced from PubChem (CID 4788074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).