N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide

C16H23F2N3O3S — CID 75463580

IUPACN-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide
SMILESCN(C1CCN(C(=O)NCCc2ccc(F)cc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C16H23F2N3O3S/c1-20(25(2,23)24)14-6-9-21(10-7-14)16(22)19-8-5-12-3-4-13(17)11-15(12)18/h3-4,11,14H,5-10H2,1-2H3,(H,19,22)
InChIKeyPBYYSXUGUOYVLQ-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.57
Rot. Bonds5

About N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide

N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide (PubChem CID 75463580) has the molecular formula C16H23F2N3O3S and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide
PubChem CID75463580
Molecular FormulaC16H23F2N3O3S
Molecular Weight375.44 g/mol
Exact Mass375.14
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide
SMILESCN(C1CCN(C(=O)NCCc2ccc(F)cc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C16H23F2N3O3S/c1-20(25(2,23)24)14-6-9-21(10-7-14)16(22)19-8-5-12-3-4-13(17)11-15(12)18/h3-4,11,14H,5-10H2,1-2H3,(H,19,22)
InChIKeyPBYYSXUGUOYVLQ-UHFFFAOYSA-N
XLogP1.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-(1-ethylsulfonylpiperidin-4-yl)-1-methylurea
CID 10203845
(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 118728608
1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
CID 10111188
3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10159722
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155
1-Cyclohexyl-3-(1-phenylmethanesulfonyl-piperidin-4-yl)-urea
CID 645563
3-{[(benzylsulfonyl)amino]methyl}-N-(2-phenylethyl)piperidine-1-carboxamide
CID 16189502
1-Cyclohexyl-3-(2-(1-((4-fluoro-2-methylphenyl)sulfonyl)piperidin-2-yl)ethyl)urea
CID 18574617
3-{[(benzylsulfonyl)amino]methyl}-N-cyclohexylpiperidine-1-carboxamide
CID 16189516
1-(Tert-butyl)-3-(2-(1-((4-fluoro-3-methylphenyl)sulfonyl)piperidin-2-yl)ethyl)urea
CID 18574543
N-[1-(2-phenylethyl)piperidin-4-yl]methanesulfonamide
CID 37533862
2-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 45912577

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide (CID 75463580) is N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide is CN(C1CCN(C(=O)NCCc2ccc(F)cc2F)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide?
The InChIKey is PBYYSXUGUOYVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3S/c1-20(25(2,23)24)14-6-9-21(10-7-14)16(22)19-8-5-12-3-4-13(17)11-15(12)18/h3-4,11,14H,5-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide?
N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-4-[methyl(methylsulfonyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 75463580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).