N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide

C22H26N4O3S — CID 118249294

IUPACN-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)c2)ccn1
InChIInChI=1S/C22H26N4O3S/c1-14(27)25-21-8-18(2-3-24-21)19-7-20(13-23-12-19)30(28,29)26-22-9-15-4-16(10-22)6-17(5-15)11-22/h2-3,7-8,12-13,15-17,26H,4-6,9-11H2,1H3,(H,24,25,27)
InChIKeyCFTRIHCWHOQOGE-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.35
Rot. Bonds5

About N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249294) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249294
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)c2)ccn1
InChIInChI=1S/C22H26N4O3S/c1-14(27)25-21-8-18(2-3-24-21)19-7-20(13-23-12-19)30(28,29)26-22-9-15-4-16(10-22)6-17(5-15)11-22/h2-3,7-8,12-13,15-17,26H,4-6,9-11H2,1H3,(H,24,25,27)
InChIKeyCFTRIHCWHOQOGE-UHFFFAOYSA-N
XLogP3.35
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249294) is N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cncc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)c2)ccn1.
What is the InChIKey of N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is CFTRIHCWHOQOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-14(27)25-21-8-18(2-3-24-21)19-7-20(13-23-12-19)30(28,29)26-22-9-15-4-16(10-22)6-17(5-15)11-22/h2-3,7-8,12-13,15-17,26H,4-6,9-11H2,1H3,(H,24,25,27).
What are the key properties of N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).