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

C16H17N3O3S2 — CID 53127292

IUPAC4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCCc1nnc(-c2csc(S(=O)(=O)NCc3ccc(C)cc3)c2)o1
InChIInChI=1S/C16H17N3O3S2/c1-3-14-18-19-16(22-14)13-8-15(23-10-13)24(20,21)17-9-12-6-4-11(2)5-7-12/h4-8,10,17H,3,9H2,1-2H3
InChIKeyCLYJNEJGTQHXFD-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.15
Rot. Bonds6

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

4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 53127292) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID53127292
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCCc1nnc(-c2csc(S(=O)(=O)NCc3ccc(C)cc3)c2)o1
InChIInChI=1S/C16H17N3O3S2/c1-3-14-18-19-16(22-14)13-8-15(23-10-13)24(20,21)17-9-12-6-4-11(2)5-7-12/h4-8,10,17H,3,9H2,1-2H3
InChIKeyCLYJNEJGTQHXFD-UHFFFAOYSA-N
XLogP3.15
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 53199696
N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127278
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53127316
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53135094
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53127384
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanesulfonamide
CID 110321465
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 53126834
4-ethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318895
4-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319458
N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126844
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110319606

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide (CID 53127292) is 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide is CCc1nnc(-c2csc(S(=O)(=O)NCc3ccc(C)cc3)c2)o1.
What is the InChIKey of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is CLYJNEJGTQHXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-3-14-18-19-16(22-14)13-8-15(23-10-13)24(20,21)17-9-12-6-4-11(2)5-7-12/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 363.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53127292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).