N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

C16H17N3O3S2 — CID 53127265

IUPACN-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nnc(C)o2)cs1
InChIInChI=1S/C16H17N3O3S2/c1-3-19(10-13-7-5-4-6-8-13)24(20,21)15-9-14(11-23-15)16-18-17-12(2)22-16/h4-9,11H,3,10H2,1-2H3
InChIKeyHEIFEZPTZLCLIN-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.32
Rot. Bonds6

About N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 53127265) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
PubChem CID53127265
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC NameN-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nnc(C)o2)cs1
InChIInChI=1S/C16H17N3O3S2/c1-3-19(10-13-7-5-4-6-8-13)24(20,21)15-9-14(11-23-15)16-18-17-12(2)22-16/h4-9,11H,3,10H2,1-2H3
InChIKeyHEIFEZPTZLCLIN-UHFFFAOYSA-N
XLogP3.32
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 13409705
2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45297292
N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide
CID 50835263
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
2-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53127217
2-(dimethylamino)-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-N-phenylethanesulfonamide
CID 126541724
N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide
CID 58736718
4-[benzyl(ethyl)sulfamoyl]-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971896
N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50839258
N,N-diethyl-3-[5-(2-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 8661948

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (CID 53127265) is N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nnc(C)o2)cs1.
What is the InChIKey of N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is HEIFEZPTZLCLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-3-19(10-13-7-5-4-6-8-13)24(20,21)15-9-14(11-23-15)16-18-17-12(2)22-16/h4-9,11H,3,10H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 363.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53127265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).