N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide

C15H18N4O3S2 — CID 154859389

IUPACN-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCNc1ccc(S(=O)(=O)NC)cc1NC(=O)CSc1ccncc1
InChIInChI=1S/C15H18N4O3S2/c1-16-13-4-3-12(24(21,22)17-2)9-14(13)19-15(20)10-23-11-5-7-18-8-6-11/h3-9,16-17H,10H2,1-2H3,(H,19,20)
InChIKeyGCUHQWXEIGNHPZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.76
Rot. Bonds7

About N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide

N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 154859389) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID154859389
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCNc1ccc(S(=O)(=O)NC)cc1NC(=O)CSc1ccncc1
InChIInChI=1S/C15H18N4O3S2/c1-16-13-4-3-12(24(21,22)17-2)9-14(13)19-15(20)10-23-11-5-7-18-8-6-11/h3-9,16-17H,10H2,1-2H3,(H,19,20)
InChIKeyGCUHQWXEIGNHPZ-UHFFFAOYSA-N
XLogP1.76
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide (CID 154859389) is N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide is CNc1ccc(S(=O)(=O)NC)cc1NC(=O)CSc1ccncc1.
What is the InChIKey of N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is GCUHQWXEIGNHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-16-13-4-3-12(24(21,22)17-2)9-14(13)19-15(20)10-23-11-5-7-18-8-6-11/h3-9,16-17H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 366.47 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 154859389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).