2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide

C24H24N2O3S — CID 3594949

IUPAC2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN(Cc1ccccc1)S(=O)(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O3S/c1-25(23-15-9-4-10-16-23)24(27)20-26(19-22-13-7-3-8-14-22)30(28,29)18-17-21-11-5-2-6-12-21/h2-18H,19-20H2,1H3
InChIKeyWOLNRLUNDZAZLD-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.15
Rot. Bonds8

About 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide

2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide (PubChem CID 3594949) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide
PubChem CID3594949
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN(Cc1ccccc1)S(=O)(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O3S/c1-25(23-15-9-4-10-16-23)24(27)20-26(19-22-13-7-3-8-14-22)30(28,29)18-17-21-11-5-2-6-12-21/h2-18H,19-20H2,1H3
InChIKeyWOLNRLUNDZAZLD-UHFFFAOYSA-N
XLogP4.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide (CID 3594949) is 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide is CN(C(=O)CN(Cc1ccccc1)S(=O)(=O)C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide?
The InChIKey is WOLNRLUNDZAZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-25(23-15-9-4-10-16-23)24(27)20-26(19-22-13-7-3-8-14-22)30(28,29)18-17-21-11-5-2-6-12-21/h2-18H,19-20H2,1H3.
What are the key properties of 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide?
2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide has a molecular weight of 420.53 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 3594949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).