N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide

C17H25FN2O3S — CID 95195801

IUPACN-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide
SMILESCC[C@H](C(=O)N1CCC[C@@H](C)C1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C17H25FN2O3S/c1-4-15(17(21)19-11-7-8-13(2)12-19)20(24(3,22)23)16-10-6-5-9-14(16)18/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyNRDPCIJTOIDLAM-UKRRQHHQSA-N
MW356.46 g/mol
LogP2.63
Rot. Bonds5

About N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide

N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide (PubChem CID 95195801) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide
PubChem CID95195801
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide
SMILESCC[C@H](C(=O)N1CCC[C@@H](C)C1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C17H25FN2O3S/c1-4-15(17(21)19-11-7-8-13(2)12-19)20(24(3,22)23)16-10-6-5-9-14(16)18/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyNRDPCIJTOIDLAM-UKRRQHHQSA-N
XLogP2.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
CID 95194787
N-(2-fluorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113126709
2-(2-fluoro-N-methylsulfonylanilino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133204254
N-(2,6-difluorophenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157617
(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132698
N-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141653
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53288449
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]butanamide
CID 99132848
N-(3-methylphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 50946741
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 99131997
N-(3-chloro-4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)methanesulfonamide
CID 50947033
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 125083737

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide (CID 95195801) is N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide is CC[C@H](C(=O)N1CCC[C@@H](C)C1)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide?
The InChIKey is NRDPCIJTOIDLAM-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-4-15(17(21)19-11-7-8-13(2)12-19)20(24(3,22)23)16-10-6-5-9-14(16)18/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide?
N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide has a molecular weight of 356.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]methanesulfonamide is sourced from PubChem (CID 95195801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).