N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide

C19H18N4O3S — CID 118298865

IUPACN-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(S(=O)(=O)N(C)c3ccccc3)c2)ccn1
InChIInChI=1S/C19H18N4O3S/c1-14(24)22-19-11-15(8-9-21-19)16-10-18(13-20-12-16)27(25,26)23(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,21,22,24)
InChIKeyQPPCQLAIRXMYCN-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.93
Rot. Bonds5

About N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118298865) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118298865
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(S(=O)(=O)N(C)c3ccccc3)c2)ccn1
InChIInChI=1S/C19H18N4O3S/c1-14(24)22-19-11-15(8-9-21-19)16-10-18(13-20-12-16)27(25,26)23(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,21,22,24)
InChIKeyQPPCQLAIRXMYCN-UHFFFAOYSA-N
XLogP2.93
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide (CID 118298865) is N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cncc(S(=O)(=O)N(C)c3ccccc3)c2)ccn1.
What is the InChIKey of N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is QPPCQLAIRXMYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-14(24)22-19-11-15(8-9-21-19)16-10-18(13-20-12-16)27(25,26)23(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,21,22,24).
What are the key properties of N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 382.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[methyl(phenyl)sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118298865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).