N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide

C17H24F2N2O3S — CID 55966830

IUPACN-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2N2O3S/c1-3-10-25(23,24)21-9-5-4-6-16(21)17(22)20(2)12-13-7-8-14(18)15(19)11-13/h7-8,11,16H,3-6,9-10,12H2,1-2H3
InChIKeyBVSSWJWSLBTMQS-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.52
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide

N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 55966830) has the molecular formula C17H24F2N2O3S and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID55966830
Molecular FormulaC17H24F2N2O3S
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2N2O3S/c1-3-10-25(23,24)21-9-5-4-6-16(21)17(22)20(2)12-13-7-8-14(18)15(19)11-13/h7-8,11,16H,3-6,9-10,12H2,1-2H3
InChIKeyBVSSWJWSLBTMQS-UHFFFAOYSA-N
XLogP2.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134044798
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134040898
N-[(2-bromophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134044708
3-[methyl-[(2R)-1-propylsulfonylpiperidine-2-carbonyl]amino]propanoic acid
CID 97098894
N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide
CID 146136290
N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 62335541
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512301
azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
1-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112790162
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429401

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide (CID 55966830) is N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)N(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is BVSSWJWSLBTMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3S/c1-3-10-25(23,24)21-9-5-4-6-16(21)17(22)20(2)12-13-7-8-14(18)15(19)11-13/h7-8,11,16H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide?
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55966830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).