2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

C24H28FN5O3S — CID 60508000

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1cccc(Cn2nccc2NC(=O)CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H28FN5O3S/c1-18-3-2-4-19(15-18)16-30-23(9-12-26-30)27-24(31)17-29-13-10-21(11-14-29)28-34(32,33)22-7-5-20(25)6-8-22/h2-9,12,15,21,28H,10-11,13-14,16-17H2,1H3,(H,27,31)
InChIKeyMIBJNKBTPHJGKS-UHFFFAOYSA-N
MW485.59 g/mol
LogP2.76
Rot. Bonds8

About 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 60508000) has the molecular formula C24H28FN5O3S and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID60508000
Molecular FormulaC24H28FN5O3S
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1cccc(Cn2nccc2NC(=O)CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H28FN5O3S/c1-18-3-2-4-19(15-18)16-30-23(9-12-26-30)27-24(31)17-29-13-10-21(11-14-29)28-34(32,33)22-7-5-20(25)6-8-22/h2-9,12,15,21,28H,10-11,13-14,16-17H2,1H3,(H,27,31)
InChIKeyMIBJNKBTPHJGKS-UHFFFAOYSA-N
XLogP2.76
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (CID 60508000) is 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is Cc1cccc(Cn2nccc2NC(=O)CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is MIBJNKBTPHJGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3S/c1-18-3-2-4-19(15-18)16-30-23(9-12-26-30)27-24(31)17-29-13-10-21(11-14-29)28-34(32,33)22-7-5-20(25)6-8-22/h2-9,12,15,21,28H,10-11,13-14,16-17H2,1H3,(H,27,31).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 485.59 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 60508000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).