N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide

C15H21F2N3O3S — CID 86914703

IUPACN-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C15H21F2N3O3S/c1-10(15(21)18-14-4-3-11(16)9-13(14)17)20-7-5-12(6-8-20)19-24(2,22)23/h3-4,9-10,12,19H,5-8H2,1-2H3,(H,18,21)
InChIKeySNTJYICFWIECIW-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.31
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide

N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide (PubChem CID 86914703) has the molecular formula C15H21F2N3O3S and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
PubChem CID86914703
Molecular FormulaC15H21F2N3O3S
Molecular Weight361.41 g/mol
Exact Mass361.13
IUPAC NameN-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C15H21F2N3O3S/c1-10(15(21)18-14-4-3-11(16)9-13(14)17)20-7-5-12(6-8-20)19-24(2,22)23/h3-4,9-10,12,19H,5-8H2,1-2H3,(H,18,21)
InChIKeySNTJYICFWIECIW-UHFFFAOYSA-N
XLogP1.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9430606
(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851243
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
(2S)-N-(2,4-difluorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249053
(2S)-N-(2-chloro-5-nitrophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 41331845
(2S)-2-[4-(methanesulfonamido)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 41331851
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 42122346
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 17487365
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444011
N-(2,4-difluorophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 46571268
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 46630871
N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
CID 63622745

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide (CID 86914703) is N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(F)cc1F)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
The InChIKey is SNTJYICFWIECIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O3S/c1-10(15(21)18-14-4-3-11(16)9-13(14)17)20-7-5-12(6-8-20)19-24(2,22)23/h3-4,9-10,12,19H,5-8H2,1-2H3,(H,18,21).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide?
N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide has a molecular weight of 361.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide is sourced from PubChem (CID 86914703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).