N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide

C13H20N4O3S2 — CID 131922421

IUPACN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCOCCn1cnnc1C(C)NS(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C13H20N4O3S2/c1-9-7-12(11(3)21-9)22(18,19)16-10(2)13-15-14-8-17(13)5-6-20-4/h7-8,10,16H,5-6H2,1-4H3
InChIKeyQDESDZFPLWJFOY-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.64
Rot. Bonds7

About N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide

N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 131922421) has the molecular formula C13H20N4O3S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide
PubChem CID131922421
Molecular FormulaC13H20N4O3S2
Molecular Weight344.46 g/mol
Exact Mass344.10
IUPAC NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCOCCn1cnnc1C(C)NS(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C13H20N4O3S2/c1-9-7-12(11(3)21-9)22(18,19)16-10(2)13-15-14-8-17(13)5-6-20-4/h7-8,10,16H,5-6H2,1-4H3
InChIKeyQDESDZFPLWJFOY-UHFFFAOYSA-N
XLogP1.64
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide with MolForge

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Related Compounds

N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 58499880
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99958080
1-(difluoromethyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazole-3-carboxamide
CID 156584689
N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 131899476
4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
CID 115393656
2-acetamido-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 121494830
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide
CID 125165323
2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169
2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide
CID 78797888
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97118047
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97123084
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate
CID 47072937

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide (CID 131922421) is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide is COCCn1cnnc1C(C)NS(=O)(=O)c1cc(C)sc1C.
What is the InChIKey of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is QDESDZFPLWJFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S2/c1-9-7-12(11(3)21-9)22(18,19)16-10(2)13-15-14-8-17(13)5-6-20-4/h7-8,10,16H,5-6H2,1-4H3.
What are the key properties of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide?
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 344.46 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 131922421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).