N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide

C27H23NO4S — CID 10095630

IUPACN-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cccc(-c2ccccc2-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C27H23NO4S/c1-20(29)28-33(30,31)23-13-9-12-22(18-23)24-14-5-6-15-25(24)26-16-7-8-17-27(26)32-19-21-10-3-2-4-11-21/h2-18H,19H2,1H3,(H,28,29)
InChIKeyRUCQOFZCGQYPTC-UHFFFAOYSA-N
MW457.55 g/mol
LogP5.42
Rot. Bonds7

About N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide

N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide (PubChem CID 10095630) has the molecular formula C27H23NO4S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide
PubChem CID10095630
Molecular FormulaC27H23NO4S
Molecular Weight457.55 g/mol
Exact Mass457.13
IUPAC NameN-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cccc(-c2ccccc2-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C27H23NO4S/c1-20(29)28-33(30,31)23-13-9-12-22(18-23)24-14-5-6-15-25(24)26-16-7-8-17-27(26)32-19-21-10-3-2-4-11-21/h2-18H,19H2,1H3,(H,28,29)
InChIKeyRUCQOFZCGQYPTC-UHFFFAOYSA-N
XLogP5.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide
CID 58854355
3-(3-methylsulfonylphenyl)-4-phenylmethoxyaniline
CID 169408826
N-(3-hydroxyphenyl)sulfonylacetamide
CID 59267686
N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide
CID 11754161
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801
(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide
CID 57200354
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
CID 172649387
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
3-[[3-(2-propoxyphenyl)phenyl]sulfonylamino]thiophene-2-carboxylic acid
CID 25183652
4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid
CID 53228674

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide (CID 10095630) is N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1cccc(-c2ccccc2-c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide?
The InChIKey is RUCQOFZCGQYPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4S/c1-20(29)28-33(30,31)23-13-9-12-22(18-23)24-14-5-6-15-25(24)26-16-7-8-17-27(26)32-19-21-10-3-2-4-11-21/h2-18H,19H2,1H3,(H,28,29).
What are the key properties of N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide?
N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide has a molecular weight of 457.55 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 10095630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).