N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide

C22H21NO5S — CID 10549566

IUPACN-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide
SMILESCC(=O)c1cc(Oc2ccccc2)c(NS(C)(=O)=O)cc1OCc1ccccc1
InChIInChI=1S/C22H21NO5S/c1-16(24)19-13-22(28-18-11-7-4-8-12-18)20(23-29(2,25)26)14-21(19)27-15-17-9-5-3-6-10-17/h3-14,23H,15H2,1-2H3
InChIKeyNSASVGNAELBYPS-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.63
Rot. Bonds8

About N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide

N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide (PubChem CID 10549566) has the molecular formula C22H21NO5S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide
PubChem CID10549566
Molecular FormulaC22H21NO5S
Molecular Weight411.48 g/mol
Exact Mass411.11
IUPAC NameN-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide
SMILESCC(=O)c1cc(Oc2ccccc2)c(NS(C)(=O)=O)cc1OCc1ccccc1
InChIInChI=1S/C22H21NO5S/c1-16(24)19-13-22(28-18-11-7-4-8-12-18)20(23-29(2,25)26)14-21(19)27-15-17-9-5-3-6-10-17/h3-14,23H,15H2,1-2H3
InChIKeyNSASVGNAELBYPS-UHFFFAOYSA-N
XLogP4.63
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 70516197
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 82096959
N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
CID 10803650
3-[3-(methanesulfonamido)-4-phenoxyphenoxy]but-2-enoic acid
CID 54030327
N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 10246598
methyl (E)-3-[4-(methanesulfonamido)-3-phenoxyphenyl]prop-2-enoate
CID 102048932
1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone
CID 24773453
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide
CID 15285980
N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide
CID 141223265
N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide
CID 22120959

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide (CID 10549566) is N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide is CC(=O)c1cc(Oc2ccccc2)c(NS(C)(=O)=O)cc1OCc1ccccc1.
What is the InChIKey of N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide?
The InChIKey is NSASVGNAELBYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5S/c1-16(24)19-13-22(28-18-11-7-4-8-12-18)20(23-29(2,25)26)14-21(19)27-15-17-9-5-3-6-10-17/h3-14,23H,15H2,1-2H3.
What are the key properties of N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide?
N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide has a molecular weight of 411.48 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 10549566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).