N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

C21H25FN2O3S — CID 11361715

IUPACN-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCc1ccc(/C=C\CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1C
InChIInChI=1S/C21H25FN2O3S/c1-14-7-8-17(12-15(14)2)6-5-11-23-21(25)16(3)18-9-10-20(19(22)13-18)24-28(4,26)27/h5-10,12-13,16,24H,11H2,1-4H3,(H,23,25)/b6-5-
InChIKeyOQYCEXVXYNTZJY-WAYWQWQTSA-N
MW404.51 g/mol
LogP3.75
Rot. Bonds7

About N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 11361715) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID11361715
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCc1ccc(/C=C\CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1C
InChIInChI=1S/C21H25FN2O3S/c1-14-7-8-17(12-15(14)2)6-5-11-23-21(25)16(3)18-9-10-20(19(22)13-18)24-28(4,26)27/h5-10,12-13,16,24H,11H2,1-4H3,(H,23,25)/b6-5-
InChIKeyOQYCEXVXYNTZJY-WAYWQWQTSA-N
XLogP3.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 57401816
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-iodophenyl)methyl]propanamide
CID 57403413
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethyl]propanamide
CID 57396570
N-[3-(4-chlorophenyl)propyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11292857
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-(naphthalen-2-ylmethyl)propanamide
CID 57391194
[2-[(3,4-dimethylphenyl)methyl]-3-[2-[3-fluoro-4-(methanesulfonamido)phenyl]propanoylamino]propyl] 2,2-dimethylpropanoate
CID 11443800
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 25063516
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 66644459
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 90236125
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 25063518
N-[[2,4-dibromo-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 87840143

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (CID 11361715) is N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is Cc1ccc(/C=C\CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1C.
What is the InChIKey of N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is OQYCEXVXYNTZJY-WAYWQWQTSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-14-7-8-17(12-15(14)2)6-5-11-23-21(25)16(3)18-9-10-20(19(22)13-18)24-28(4,26)27/h5-10,12-13,16,24H,11H2,1-4H3,(H,23,25)/b6-5-.
What are the key properties of N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(3,4-dimethylphenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 11361715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).