3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide

C22H21FN2O3S — CID 134208765

IUPAC3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(-c3ccc(F)cc3)cc2CCC(N)=O)c1
InChIInChI=1S/C22H21FN2O3S/c1-29(27,28)25-20-4-2-3-17(14-20)21-11-7-16(13-18(21)8-12-22(24)26)15-5-9-19(23)10-6-15/h2-7,9-11,13-14,25H,8,12H2,1H3,(H2,24,26)
InChIKeyPECMDSWJAVQHOQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.95
Rot. Bonds7

About 3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide

3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide (PubChem CID 134208765) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide
PubChem CID134208765
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(-c3ccc(F)cc3)cc2CCC(N)=O)c1
InChIInChI=1S/C22H21FN2O3S/c1-29(27,28)25-20-4-2-3-17(14-20)21-11-7-16(13-18(21)8-12-22(24)26)15-5-9-19(23)10-6-15/h2-7,9-11,13-14,25H,8,12H2,1H3,(H2,24,26)
InChIKeyPECMDSWJAVQHOQ-UHFFFAOYSA-N
XLogP3.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide
CID 122555523
3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide
CID 134208666
3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide
CID 139454444
3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
CID 122555577
3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide
CID 122555553
N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 90114852
3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide
CID 122555560
CID 159681351
CID 159681351
3-[5-(furan-3-yl)-2-(3-hydroxyphenyl)phenyl]propanamide
CID 122539333
N-[3-(2,4-difluorophenyl)phenyl]-6-(methanesulfonamido)-3-methyl-1-benzothiophene-2-carboxamide
CID 121283508
6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
CID 53229646
(E)-3-(5-bromo-2-methylphenyl)prop-2-enamide;3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxyphenyl]propanamide;3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide;3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]propanamide;(E)-3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylphenyl]prop-2-enamide;(E)-3-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide
CID 160618023

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide (CID 134208765) is 3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide is CS(=O)(=O)Nc1cccc(-c2ccc(-c3ccc(F)cc3)cc2CCC(N)=O)c1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide?
The InChIKey is PECMDSWJAVQHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-29(27,28)25-20-4-2-3-17(14-20)21-11-7-16(13-18(21)8-12-22(24)26)15-5-9-19(23)10-6-15/h2-7,9-11,13-14,25H,8,12H2,1H3,(H2,24,26).
What are the key properties of 3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide?
3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide has a molecular weight of 412.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide is sourced from PubChem (CID 134208765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).