N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C24H24F2N2O3S — CID 43870722

IUPACN-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C24H24F2N2O3S/c1-15-11-16(2)23(17(3)12-15)32(30,31)28-22(13-18-7-5-4-6-8-18)24(29)27-19-9-10-20(25)21(26)14-19/h4-12,14,22,28H,13H2,1-3H3,(H,27,29)
InChIKeyGFXUAIUSOSPBFJ-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.42
Rot. Bonds7

About N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 43870722) has the molecular formula C24H24F2N2O3S and a molecular weight of 458.53 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID43870722
Molecular FormulaC24H24F2N2O3S
Molecular Weight458.53 g/mol
Exact Mass458.15
IUPAC NameN-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C24H24F2N2O3S/c1-15-11-16(2)23(17(3)12-15)32(30,31)28-22(13-18-7-5-4-6-8-18)24(29)27-19-9-10-20(25)21(26)14-19/h4-12,14,22,28H,13H2,1-3H3,(H,27,29)
InChIKeyGFXUAIUSOSPBFJ-UHFFFAOYSA-N
XLogP4.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide with MolForge

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Related Compounds

(2R)-N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537995
(2R)-N-(4-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537449
(2S)-N-(4-acetamidophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537725
(2S)-N-(3,4-dichlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537513
3-phenyl-N-(2,3,4-trifluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43870719
3-phenyl-N-[4-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43870653
(2R)-N-(4-chloro-2-methylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537476
(2S)-N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541415
(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 94860847
(2S)-N-(2,5-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537366
(2S)-N-benzyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646044
(2R)-N-(2,3-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537354

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 43870722) is N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2)c(C)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is GFXUAIUSOSPBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3S/c1-15-11-16(2)23(17(3)12-15)32(30,31)28-22(13-18-7-5-4-6-8-18)24(29)27-19-9-10-20(25)21(26)14-19/h4-12,14,22,28H,13H2,1-3H3,(H,27,29).
What are the key properties of N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 458.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43870722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).