N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

C24H29FN2O4S — CID 55669481

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1F
InChIInChI=1S/C24H29FN2O4S/c1-31-23-9-6-17(14-22(23)25)16-26-24(28)19-10-12-27(13-11-19)32(29,30)21-8-7-18-4-2-3-5-20(18)15-21/h6-9,14-15,19H,2-5,10-13,16H2,1H3,(H,26,28)
InChIKeyHORGDOZDRKXRAW-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.43
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 55669481) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID55669481
Molecular FormulaC24H29FN2O4S
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1F
InChIInChI=1S/C24H29FN2O4S/c1-31-23-9-6-17(14-22(23)25)16-26-24(28)19-10-12-27(13-11-19)32(29,30)21-8-7-18-4-2-3-5-20(18)15-21/h6-9,14-15,19H,2-5,10-13,16H2,1H3,(H,26,28)
InChIKeyHORGDOZDRKXRAW-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-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

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 55669596
ethyl 4-[4-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55669482
methyl N-[4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55732422
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55804539
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549809
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874975
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 55669672
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 33021489
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1088313
N-[2-[(2-fluorobenzoyl)amino]ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55973791

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 55669481) is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is HORGDOZDRKXRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c1-31-23-9-6-17(14-22(23)25)16-26-24(28)19-10-12-27(13-11-19)32(29,30)21-8-7-18-4-2-3-5-20(18)15-21/h6-9,14-15,19H,2-5,10-13,16H2,1H3,(H,26,28).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55669481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).