N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide

C17H19N3O3S2 — CID 53041567

IUPACN-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCCc1nc(-c2cc(S(=O)(=O)Nc3cc(C)ccc3C)c(C)s2)no1
InChIInChI=1S/C17H19N3O3S2/c1-5-16-18-17(19-23-16)14-9-15(12(4)24-14)25(21,22)20-13-8-10(2)6-7-11(13)3/h6-9,20H,5H2,1-4H3
InChIKeyHUHBCJRCDKBZRI-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.09
Rot. Bonds5

About N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide

N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 53041567) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
PubChem CID53041567
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCCc1nc(-c2cc(S(=O)(=O)Nc3cc(C)ccc3C)c(C)s2)no1
InChIInChI=1S/C17H19N3O3S2/c1-5-16-18-17(19-23-16)14-9-15(12(4)24-14)25(21,22)20-13-8-10(2)6-7-11(13)3/h6-9,20H,5H2,1-4H3
InChIKeyHUHBCJRCDKBZRI-UHFFFAOYSA-N
XLogP4.09
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041590
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53004910
N-(2,4-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042061
N-(2-fluorophenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonamide
CID 53041479
N-(2,4-dimethylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126534
2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46332101
N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide
CID 50788736
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 53042261
N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079288
5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041556
N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126584
5-ethyl-3-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041558

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide (CID 53041567) is N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide is CCc1nc(-c2cc(S(=O)(=O)Nc3cc(C)ccc3C)c(C)s2)no1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is HUHBCJRCDKBZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-5-16-18-17(19-23-16)14-9-15(12(4)24-14)25(21,22)20-13-8-10(2)6-7-11(13)3/h6-9,20H,5H2,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 53041567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).