N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide

C15H17N3O4S2 — CID 46888011

IUPACN-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1
InChIInChI=1S/C15H17N3O4S2/c1-22-8-7-17-14(19)13-9-12(24(16,20)21)10-18-15(13)23-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyVBOBKHQNIYRRAK-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.26
Rot. Bonds7

About N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide

N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide (PubChem CID 46888011) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide
PubChem CID46888011
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC NameN-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1
InChIInChI=1S/C15H17N3O4S2/c1-22-8-7-17-14(19)13-9-12(24(16,20)21)10-18-15(13)23-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyVBOBKHQNIYRRAK-UHFFFAOYSA-N
XLogP1.26
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide (CID 46888011) is N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide is COCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide?
The InChIKey is VBOBKHQNIYRRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c1-22-8-7-17-14(19)13-9-12(24(16,20)21)10-18-15(13)23-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide?
N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-phenylsulfanyl-5-sulfamoylpyridine-3-carboxamide is sourced from PubChem (CID 46888011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).