N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

C18H17N3O4S2 — CID 31909402

IUPACN-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESO=C(Nc1ncccc1O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C18H17N3O4S2/c22-16-4-1-10-19-17(16)21-18(23)13-5-7-15(8-6-13)27(24,25)20-11-9-14-3-2-12-26-14/h1-8,10,12,20,22H,9,11H2,(H,19,21,23)
InChIKeyGITQYCCDZRSCFQ-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.62
Rot. Bonds7

About N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 31909402) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID31909402
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC NameN-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESO=C(Nc1ncccc1O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C18H17N3O4S2/c22-16-4-1-10-19-17(16)21-18(23)13-5-7-15(8-6-13)27(24,25)20-11-9-14-3-2-12-26-14/h1-8,10,12,20,22H,9,11H2,(H,19,21,23)
InChIKeyGITQYCCDZRSCFQ-UHFFFAOYSA-N
XLogP2.62
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide
CID 55959107
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 31887518
N-(3-hydroxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 110462769
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55956808
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55835655
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 86974213
N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 119512591
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
N-(3-hydroxy-2-pyridinyl)pyridine-4-carboxamide
CID 30160671
N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30853178

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 31909402) is N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is O=C(Nc1ncccc1O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is GITQYCCDZRSCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c22-16-4-1-10-19-17(16)21-18(23)13-5-7-15(8-6-13)27(24,25)20-11-9-14-3-2-12-26-14/h1-8,10,12,20,22H,9,11H2,(H,19,21,23).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 403.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 31909402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).