N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide

C22H21NO4S — CID 1300965

IUPACN-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO4S/c1-17(24)23-20-9-11-21(12-10-20)27-15-18-7-13-22(14-8-18)28(25,26)16-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyIBVYYWQEKCBCKG-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.20
Rot. Bonds7

About N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide

N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide (PubChem CID 1300965) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide
PubChem CID1300965
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO4S/c1-17(24)23-20-9-11-21(12-10-20)27-15-18-7-13-22(14-8-18)28(25,26)16-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyIBVYYWQEKCBCKG-UHFFFAOYSA-N
XLogP4.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide (CID 1300965) is N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide?
The InChIKey is IBVYYWQEKCBCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-17(24)23-20-9-11-21(12-10-20)27-15-18-7-13-22(14-8-18)28(25,26)16-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide?
N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-benzylsulfonylphenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 1300965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).