N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide

C36H32N2O4S — CID 68510321

IUPACN-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide
SMILESCCN(C(=O)C(CC=Cc1ccc(-c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C36H32N2O4S/c1-2-38(32-17-7-4-8-18-32)36(40)34(19-11-12-27-20-22-30(23-21-27)28-13-5-3-6-14-28)35(39)37-43(41,42)33-25-24-29-15-9-10-16-31(29)26-33/h3-18,20-26,34H,2,19H2,1H3,(H,37,39)
InChIKeyUNBRSTLNOPLVDZ-UHFFFAOYSA-N
MW588.73 g/mol
LogP7.08
Rot. Bonds10

About N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide

N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide (PubChem CID 68510321) has the molecular formula C36H32N2O4S and a molecular weight of 588.73 g/mol. Its IUPAC name is N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide.

Molecular Properties

Compound NameN-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide
PubChem CID68510321
Molecular FormulaC36H32N2O4S
Molecular Weight588.73 g/mol
Exact Mass588.21
IUPAC NameN-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide
SMILESCCN(C(=O)C(CC=Cc1ccc(-c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C36H32N2O4S/c1-2-38(32-17-7-4-8-18-32)36(40)34(19-11-12-27-20-22-30(23-21-27)28-13-5-3-6-14-28)35(39)37-43(41,42)33-25-24-29-15-9-10-16-31(29)26-33/h3-18,20-26,34H,2,19H2,1H3,(H,37,39)
InChIKeyUNBRSTLNOPLVDZ-UHFFFAOYSA-N
XLogP7.08
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.73
LogP ≤ 57.08
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

2-(2-cyanoethyl)-N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenylpropanediamide
CID 68508393
N,N-diethyl-N'-naphthalen-2-ylsulfonyl-2-[3-(4-nitrophenyl)prop-2-enyl]propanediamide
CID 91483743
methyl 4-[2-[ethyl(phenyl)carbamoyl]-3-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzoate
CID 68508587
2-[(4-amino-3-methoxyphenyl)methyl]-N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenylpropanediamide
CID 68508297
ethyl 4-[4-[ethyl(phenyl)carbamoyl]-5-(naphthalen-2-ylsulfonylamino)-5-oxopentyl]benzoate
CID 68507721
N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)-2-[(3-phenylphenyl)methyl]propanediamide
CID 68512049
2-(cyanomethyl)-N-ethyl-N-phenyl-N'-(2-phenylethenylsulfonyl)propanediamide
CID 68507368
N-ethyl-N'-[(E)-2-phenylethenyl]sulfonyl-2-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 68510437
4-[2-[ethyl(phenyl)carbamoyl]-3-oxo-3-[[(E)-2-phenylethenyl]sulfonylamino]propyl]benzoic acid
CID 68505367
ethyl 4-cyano-2-(naphthalen-2-ylsulfonylcarbamoyl)butanoate
CID 68510229
CID 68510403
CID 68510403
N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide
CID 135264810

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide?
The IUPAC name of N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide (CID 68510321) is N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide.
What is the SMILES notation for N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide?
The canonical SMILES for N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide is CCN(C(=O)C(CC=Cc1ccc(-c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide?
The InChIKey is UNBRSTLNOPLVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O4S/c1-2-38(32-17-7-4-8-18-32)36(40)34(19-11-12-27-20-22-30(23-21-27)28-13-5-3-6-14-28)35(39)37-43(41,42)33-25-24-29-15-9-10-16-31(29)26-33/h3-18,20-26,34H,2,19H2,1H3,(H,37,39).
What are the key properties of N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide?
N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide has a molecular weight of 588.73 g/mol, XLogP of 7.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-naphthalen-2-ylsulfonyl-N-phenyl-2-[3-(4-phenylphenyl)prop-2-enyl]propanediamide is sourced from PubChem (CID 68510321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).