N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide

C32H30N2O4S — CID 68512049

IUPACN-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide
SMILESCCN(C(=O)C(Cc1cccc(-c2ccccc2)c1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C32H30N2O4S/c1-2-34(29-19-10-5-11-20-29)32(36)30(24-26-15-12-18-28(23-26)27-16-8-4-9-17-27)31(35)33-39(37,38)22-21-25-13-6-3-7-14-25/h3-23,30H,2,24H2,1H3,(H,33,35)
InChIKeyNPJOGNXNSDSFBT-UHFFFAOYSA-N
MW538.67 g/mol
LogP5.68
Rot. Bonds10

About N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide

N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide (PubChem CID 68512049) has the molecular formula C32H30N2O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide
PubChem CID68512049
Molecular FormulaC32H30N2O4S
Molecular Weight538.67 g/mol
Exact Mass538.19
IUPAC NameN-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide
SMILESCCN(C(=O)C(Cc1cccc(-c2ccccc2)c1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C32H30N2O4S/c1-2-34(29-19-10-5-11-20-29)32(36)30(24-26-15-12-18-28(23-26)27-16-8-4-9-17-27)31(35)33-39(37,38)22-21-25-13-6-3-7-14-25/h3-23,30H,2,24H2,1H3,(H,33,35)
InChIKeyNPJOGNXNSDSFBT-UHFFFAOYSA-N
XLogP5.68
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.67
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[2-[ethyl(phenyl)carbamoyl]-3-oxo-3-[[(E)-2-phenylethenyl]sulfonylamino]propyl]benzoic acid
CID 68505367
N-ethyl-2-[(4-methoxy-3-nitrophenyl)methyl]-N-phenyl-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68507266
2-(cyanomethyl)-N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68507368
N-ethyl-N-phenyl-N'-[(E)-2-phenylethenyl]sulfonyl-2-[[1-(1-phenylethyl)pyrazol-4-yl]methyl]propanediamide
CID 68509098
N-ethyl-N'-[(E)-2-phenylethenyl]sulfonyl-2-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 68510437
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68511463
N-(2,3-dichlorophenyl)-N-ethyl-N'-(2-phenylethenylsulfonyl)-2-prop-2-enylpropanediamide
CID 68507910
2-[(1-benzylpyrazol-4-yl)methyl]-N,N-diethyl-N'-[(E)-2-phenylethenyl]sulfonylpropanediamide
CID 68513135
2-[(3-cyanophenyl)methyl]-N-(4-fluorophenyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68506196
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-N-pentan-3-yl-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68506234
2-[(4-aminophenyl)methyl]-N-ethyl-N-phenyl-N'-propylsulfonylpropanediamide
CID 68507620
N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide
CID 68510321

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide?
The IUPAC name of N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide (CID 68512049) is N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide.
What is the SMILES notation for N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide?
The canonical SMILES for N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide is CCN(C(=O)C(Cc1cccc(-c2ccccc2)c1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide?
The InChIKey is NPJOGNXNSDSFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O4S/c1-2-34(29-19-10-5-11-20-29)32(36)30(24-26-15-12-18-28(23-26)27-16-8-4-9-17-27)31(35)33-39(37,38)22-21-25-13-6-3-7-14-25/h3-23,30H,2,24H2,1H3,(H,33,35).
What are the key properties of N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide?
N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide has a molecular weight of 538.67 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide is sourced from PubChem (CID 68512049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).