2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide

C25H26FNO4S — CID 154859573

IUPAC2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NCCc1ccccc1)S(=O)(=O)Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FNO4S/c1-19(25(28)27-16-15-20-5-3-2-4-6-20)32(29,30)18-22-9-13-24(14-10-22)31-17-21-7-11-23(26)12-8-21/h2-14,19H,15-18H2,1H3,(H,27,28)
InChIKeyRFUNGFSBFOTXJK-UHFFFAOYSA-N
MW455.55 g/mol
LogP4.07
Rot. Bonds10

About 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide

2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide (PubChem CID 154859573) has the molecular formula C25H26FNO4S and a molecular weight of 455.55 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide
PubChem CID154859573
Molecular FormulaC25H26FNO4S
Molecular Weight455.55 g/mol
Exact Mass455.16
IUPAC Name2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NCCc1ccccc1)S(=O)(=O)Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FNO4S/c1-19(25(28)27-16-15-20-5-3-2-4-6-20)32(29,30)18-22-9-13-24(14-10-22)31-17-21-7-11-23(26)12-8-21/h2-14,19H,15-18H2,1H3,(H,27,28)
InChIKeyRFUNGFSBFOTXJK-UHFFFAOYSA-N
XLogP4.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 141080201
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-[2-(4-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 32979164
2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 52630971
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133185289
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
CID 119735749
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 92671895
1-[1-(1-adamantyl)ethyl]-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 68977304
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
(2R)-2-[(4-fluorophenyl)methyl-[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100515222
2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 86923044

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide (CID 154859573) is 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide is CC(C(=O)NCCc1ccccc1)S(=O)(=O)Cc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide?
The InChIKey is RFUNGFSBFOTXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO4S/c1-19(25(28)27-16-15-20-5-3-2-4-6-20)32(29,30)18-22-9-13-24(14-10-22)31-17-21-7-11-23(26)12-8-21/h2-14,19H,15-18H2,1H3,(H,27,28).
What are the key properties of 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide?
2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide has a molecular weight of 455.55 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfonyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 154859573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).