3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide

C15H23FN2O3S — CID 133255076

IUPAC3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CC(NS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O3S/c1-4-5-11(2)17-15(19)10-14(18-22(3,20)21)12-6-8-13(16)9-7-12/h6-9,11,14,18H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyWAXNSNMVENAWNK-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.11
Rot. Bonds8

About 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide

3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide (PubChem CID 133255076) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide
PubChem CID133255076
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CC(NS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O3S/c1-4-5-11(2)17-15(19)10-14(18-22(3,20)21)12-6-8-13(16)9-7-12/h6-9,11,14,18H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyWAXNSNMVENAWNK-UHFFFAOYSA-N
XLogP2.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2S)-butan-2-yl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782912
(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782888
(3S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782864
(3S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782863
(3R)-3-(4-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methanesulfonamido)propanamide
CID 100783556
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
N,3-bis(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255111
(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784235
(3R)-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783006
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783017
(3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783250
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide
CID 133255204

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide (CID 133255076) is 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)CC(NS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide?
The InChIKey is WAXNSNMVENAWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-4-5-11(2)17-15(19)10-14(18-22(3,20)21)12-6-8-13(16)9-7-12/h6-9,11,14,18H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide?
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide has a molecular weight of 330.43 g/mol, XLogP of 2.11, 8 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-pentan-2-ylpropanamide is sourced from PubChem (CID 133255076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).