3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide

C24H32FN3O4S — CID 55957487

IUPAC3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)CC2)cc1F
InChIInChI=1S/C24H32FN3O4S/c1-16-12-19(14-23(17(16)2)33(30,31)27(3)4)24(29)26-20-8-10-28(11-9-20)15-18-6-7-22(32-5)21(25)13-18/h6-7,12-14,20H,8-11,15H2,1-5H3,(H,26,29)
InChIKeyJZNSUDRUTOSSRX-UHFFFAOYSA-N
MW477.60 g/mol
LogP3.10
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide

3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide (PubChem CID 55957487) has the molecular formula C24H32FN3O4S and a molecular weight of 477.60 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide
PubChem CID55957487
Molecular FormulaC24H32FN3O4S
Molecular Weight477.60 g/mol
Exact Mass477.21
IUPAC Name3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)CC2)cc1F
InChIInChI=1S/C24H32FN3O4S/c1-16-12-19(14-23(17(16)2)33(30,31)27(3)4)24(29)26-20-8-10-28(11-9-20)15-18-6-7-22(32-5)21(25)13-18/h6-7,12-14,20H,8-11,15H2,1-5H3,(H,26,29)
InChIKeyJZNSUDRUTOSSRX-UHFFFAOYSA-N
XLogP3.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
5-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
CID 55957736
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55959144
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide
CID 55957745
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
1-(3-chloro-4-methylphenyl)-3-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]urea
CID 55817120
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55958260
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55959163

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide (CID 55957487) is 3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide is COc1ccc(CN2CCC(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)CC2)cc1F.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide?
The InChIKey is JZNSUDRUTOSSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O4S/c1-16-12-19(14-23(17(16)2)33(30,31)27(3)4)24(29)26-20-8-10-28(11-9-20)15-18-6-7-22(32-5)21(25)13-18/h6-7,12-14,20H,8-11,15H2,1-5H3,(H,26,29).
What are the key properties of 3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide?
3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide has a molecular weight of 477.60 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide is sourced from PubChem (CID 55957487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).