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

C16H20N4O3S — CID 118249006

IUPACN-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cncc(-c2ccnc(NC(C)=O)c2)c1
InChIInChI=1S/C16H20N4O3S/c1-4-20(5-2)24(22,23)15-8-14(10-17-11-15)13-6-7-18-16(9-13)19-12(3)21/h6-11H,4-5H2,1-3H3,(H,18,19,21)
InChIKeyUCIPLLDDFIFWKM-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.13
Rot. Bonds6

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

N-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249006) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249006
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cncc(-c2ccnc(NC(C)=O)c2)c1
InChIInChI=1S/C16H20N4O3S/c1-4-20(5-2)24(22,23)15-8-14(10-17-11-15)13-6-7-18-16(9-13)19-12(3)21/h6-11H,4-5H2,1-3H3,(H,18,19,21)
InChIKeyUCIPLLDDFIFWKM-UHFFFAOYSA-N
XLogP2.13
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249006) is N-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is CCN(CC)S(=O)(=O)c1cncc(-c2ccnc(NC(C)=O)c2)c1.
What is the InChIKey of N-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is UCIPLLDDFIFWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-4-20(5-2)24(22,23)15-8-14(10-17-11-15)13-6-7-18-16(9-13)19-12(3)21/h6-11H,4-5H2,1-3H3,(H,18,19,21).
What are the key properties of N-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(diethylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).