N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide

C18H19NO4S — CID 103598013

IUPACN-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C18H19NO4S/c1-15(23-14-17-10-6-3-7-11-17)18(20)19-24(21,22)13-12-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,19,20)
InChIKeyZSQJIOKFEDVWIY-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.71
Rot. Bonds7

About N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide

N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide (PubChem CID 103598013) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide
PubChem CID103598013
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC NameN-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C18H19NO4S/c1-15(23-14-17-10-6-3-7-11-17)18(20)19-24(21,22)13-12-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,19,20)
InChIKeyZSQJIOKFEDVWIY-UHFFFAOYSA-N
XLogP2.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
N-benzyl-2-(2-methylpropyl)-N'-(2-phenylethenylsulfonyl)-N-propan-2-ylpropanediamide
CID 68506045
ethyl 2-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]pent-4-ynoate
CID 87479038
N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide
CID 47028889
(2R)-2-phenylmethoxy-N-pyridin-3-ylsulfonylpropanamide
CID 94189477
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
methyl 2-(2-phenylethenylsulfonylcarbamoylamino)propanoate
CID 54315961
[(2S)-1-amino-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2571122
1-methyl-3-(2-phenylmethoxypropanoylamino)urea
CID 47383903
3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070
ethyl 2-[(1-benzylpyrazol-4-yl)methyl]-3-oxo-3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 68506287
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide?
The IUPAC name of N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide (CID 103598013) is N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide.
What is the SMILES notation for N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide?
The canonical SMILES for N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)NS(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide?
The InChIKey is ZSQJIOKFEDVWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-15(23-14-17-10-6-3-7-11-17)18(20)19-24(21,22)13-12-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,19,20).
What are the key properties of N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide?
N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide has a molecular weight of 345.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethenylsulfonyl)-2-phenylmethoxypropanamide is sourced from PubChem (CID 103598013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).