N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide

C23H28FN3O3S — CID 123227446

IUPACN-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
SMILESCNCc1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(C3CCCNC3)cc12
InChIInChI=1S/C23H28FN3O3S/c1-25-14-20-19-11-18(16-5-4-10-26-13-16)21(27(2)31(3,28)29)12-22(19)30-23(20)15-6-8-17(24)9-7-15/h6-9,11-12,16,25-26H,4-5,10,13-14H2,1-3H3
InChIKeyHKMQFFUNILJAAY-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide

N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide (PubChem CID 123227446) has the molecular formula C23H28FN3O3S and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
PubChem CID123227446
Molecular FormulaC23H28FN3O3S
Molecular Weight445.56 g/mol
Exact Mass445.18
IUPAC NameN-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
SMILESCNCc1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(C3CCCNC3)cc12
InChIInChI=1S/C23H28FN3O3S/c1-25-14-20-19-11-18(16-5-4-10-26-13-16)21(27(2)31(3,28)29)12-22(19)30-23(20)15-6-8-17(24)9-7-15/h6-9,11-12,16,25-26H,4-5,10,13-14H2,1-3H3
InChIKeyHKMQFFUNILJAAY-UHFFFAOYSA-N
XLogP3.82
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide 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

2-(4-fluorophenyl)-5-[(1R)-3-[2-(4-fluorophenyl)acetyl]cyclohexyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 121360236
2-(4-fluorophenyl)-5-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 121356422
1-[2-(4-fluorophenyl)-6-methyl-5-[(3S)-piperidin-3-yl]-1-benzofuran-3-yl]ethanone
CID 144766294
2-(4-fluorophenyl)-5-[(3S)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 87056136
5-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 121356515
N-[2-(4-fluorophenyl)-5-[(3R)-1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 159810033
5-[(3R)-1-(7-fluoro-1H-indol-2-yl)piperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 87056050
5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 121348575
5-[(2R)-6-(4-fluorobenzoyl)piperidin-2-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 87055070
2-(4-fluorophenyl)-N,5-dimethyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435876
[5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate
CID 174716725
5-[(3R)-1-(4-fluoro-1-methylindol-2-yl)pyrrolidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 87054989

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide (CID 123227446) is N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide is CNCc1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(C3CCCNC3)cc12.
What is the InChIKey of N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide?
The InChIKey is HKMQFFUNILJAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3S/c1-25-14-20-19-11-18(16-5-4-10-26-13-16)21(27(2)31(3,28)29)12-22(19)30-23(20)15-6-8-17(24)9-7-15/h6-9,11-12,16,25-26H,4-5,10,13-14H2,1-3H3.
What are the key properties of N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide?
N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide has a molecular weight of 445.56 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 123227446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).