3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide

C19H23FN2O3S — CID 133255204

IUPAC3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CC(NS(C)(=O)=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H23FN2O3S/c1-12-9-13(2)19(14(3)10-12)21-18(23)11-17(22-26(4,24)25)15-5-7-16(20)8-6-15/h5-10,17,22H,11H2,1-4H3,(H,21,23)
InChIKeyCUQRJQUAOQGLHD-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.37
Rot. Bonds6

About 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide

3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 133255204) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID133255204
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CC(NS(C)(=O)=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H23FN2O3S/c1-12-9-13(2)19(14(3)10-12)21-18(23)11-17(22-26(4,24)25)15-5-7-16(20)8-6-15/h5-10,17,22H,11H2,1-4H3,(H,21,23)
InChIKeyCUQRJQUAOQGLHD-UHFFFAOYSA-N
XLogP3.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782888
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783017
N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255165
(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783006
N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255156
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
ethyl 4-[[(3R)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanoyl]amino]benzoate
CID 100783152
(3S)-N-[(2S)-butan-2-yl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782912
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide
CID 133255076
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
CID 133255173
N,3-bis(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255111

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide (CID 133255204) is 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)CC(NS(C)(=O)=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is CUQRJQUAOQGLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-12-9-13(2)19(14(3)10-12)21-18(23)11-17(22-26(4,24)25)15-5-7-16(20)8-6-15/h5-10,17,22H,11H2,1-4H3,(H,21,23).
What are the key properties of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide?
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 378.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 133255204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).