N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

C12H14N2O3S2 — CID 106011806

IUPACN-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C12H14N2O3S2/c1-2-9-3-4-10(18-9)7-14-19(16,17)11-5-6-12(15)13-8-11/h3-6,8,14H,2,7H2,1H3,(H,13,15)
InChIKeyVGDCAIRROJDTKX-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.48
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 106011806) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID106011806
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C12H14N2O3S2/c1-2-9-3-4-10(18-9)7-14-19(16,17)11-5-6-12(15)13-8-11/h3-6,8,14H,2,7H2,1H3,(H,13,15)
InChIKeyVGDCAIRROJDTKX-UHFFFAOYSA-N
XLogP1.48
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 103721070
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46475867
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-[(2-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114332748
4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106094666
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629113
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
CID 106011763
N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114248446
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61475746
N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 63831451
N,N-dimethyl-2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]acetamide
CID 43629293
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 106011806) is N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is CCc1ccc(CNS(=O)(=O)c2ccc(=O)[nH]c2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is VGDCAIRROJDTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-2-9-3-4-10(18-9)7-14-19(16,17)11-5-6-12(15)13-8-11/h3-6,8,14H,2,7H2,1H3,(H,13,15).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 106011806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).