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

C18H16N4O3S — CID 118249136

IUPACN-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(S(=O)(=O)Nc3ccccc3)c2)ccn1
InChIInChI=1S/C18H16N4O3S/c1-13(23)21-18-10-14(7-8-20-18)15-9-17(12-19-11-15)26(24,25)22-16-5-3-2-4-6-16/h2-12,22H,1H3,(H,20,21,23)
InChIKeyJTOKZDPPRPGHOH-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.90
Rot. Bonds5

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

N-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249136) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249136
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(S(=O)(=O)Nc3ccccc3)c2)ccn1
InChIInChI=1S/C18H16N4O3S/c1-13(23)21-18-10-14(7-8-20-18)15-9-17(12-19-11-15)26(24,25)22-16-5-3-2-4-6-16/h2-12,22H,1H3,(H,20,21,23)
InChIKeyJTOKZDPPRPGHOH-UHFFFAOYSA-N
XLogP2.90
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249136) is N-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cncc(S(=O)(=O)Nc3ccccc3)c2)ccn1.
What is the InChIKey of N-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is JTOKZDPPRPGHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-13(23)21-18-10-14(7-8-20-18)15-9-17(12-19-11-15)26(24,25)22-16-5-3-2-4-6-16/h2-12,22H,1H3,(H,20,21,23).
What are the key properties of N-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 368.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).