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

C16H17N3O4S2 — CID 53127316

IUPAC4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCCc1nnc(-c2csc(S(=O)(=O)NCc3ccccc3OC)c2)o1
InChIInChI=1S/C16H17N3O4S2/c1-3-14-18-19-16(23-14)12-8-15(24-10-12)25(20,21)17-9-11-6-4-5-7-13(11)22-2/h4-8,10,17H,3,9H2,1-2H3
InChIKeyAGYORSVKWJHONS-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.85
Rot. Bonds7

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

4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 53127316) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID53127316
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Name4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCCc1nnc(-c2csc(S(=O)(=O)NCc3ccccc3OC)c2)o1
InChIInChI=1S/C16H17N3O4S2/c1-3-14-18-19-16(23-14)12-8-15(24-10-12)25(20,21)17-9-11-6-4-5-7-13(11)22-2/h4-8,10,17H,3,9H2,1-2H3
InChIKeyAGYORSVKWJHONS-UHFFFAOYSA-N
XLogP2.85
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 53199696
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53127292
N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127278
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53127384
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole
CID 53127291
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068164
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110320059
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 43332828
2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole
CID 53127304
N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380285

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 53127316) is 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide is CCc1nnc(-c2csc(S(=O)(=O)NCc3ccccc3OC)c2)o1.
What is the InChIKey of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is AGYORSVKWJHONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-3-14-18-19-16(23-14)12-8-15(24-10-12)25(20,21)17-9-11-6-4-5-7-13(11)22-2/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 379.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53127316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).