3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide

C22H21FN2O4S — CID 133255173

IUPAC3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
SMILESCS(=O)(=O)NC(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O4S/c1-30(27,28)25-21(16-7-9-17(23)10-8-16)15-22(26)24-18-11-13-20(14-12-18)29-19-5-3-2-4-6-19/h2-14,21,25H,15H2,1H3,(H,24,26)
InChIKeyUPICKJDELJAIJM-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.24
Rot. Bonds8

About 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide

3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide (PubChem CID 133255173) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
PubChem CID133255173
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC Name3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
SMILESCS(=O)(=O)NC(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O4S/c1-30(27,28)25-21(16-7-9-17(23)10-8-16)15-22(26)24-18-11-13-20(14-12-18)29-19-5-3-2-4-6-19/h2-14,21,25H,15H2,1H3,(H,24,26)
InChIKeyUPICKJDELJAIJM-UHFFFAOYSA-N
XLogP4.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783006
ethyl 4-[[(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanoyl]amino]benzoate
CID 100783152
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783017
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255165
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255156
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide
CID 133255202
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)propanamide
CID 100783284

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide (CID 133255173) is 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide is CS(=O)(=O)NC(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is UPICKJDELJAIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-30(27,28)25-21(16-7-9-17(23)10-8-16)15-22(26)24-18-11-13-20(14-12-18)29-19-5-3-2-4-6-19/h2-14,21,25H,15H2,1H3,(H,24,26).
What are the key properties of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide?
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 428.49 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 133255173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).