2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C21H26FN3O3S — CID 4786244

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccc(F)cc1
InChIInChI=1S/C21H26FN3O3S/c1-24(15-17-8-10-18(22)11-9-17)16-21(26)23-19-6-5-7-20(14-19)29(27,28)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,26)
InChIKeyIYRCCKRMSUHDPN-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.07
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4786244) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4786244
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccc(F)cc1
InChIInChI=1S/C21H26FN3O3S/c1-24(15-17-8-10-18(22)11-9-17)16-21(26)23-19-6-5-7-20(14-19)29(27,28)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,26)
InChIKeyIYRCCKRMSUHDPN-UHFFFAOYSA-N
XLogP3.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 4786244) is 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is IYRCCKRMSUHDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-24(15-17-8-10-18(22)11-9-17)16-21(26)23-19-6-5-7-20(14-19)29(27,28)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,26).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 419.52 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4786244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).