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

C15H15N3O3S2 — CID 110322245

IUPACN-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide
SMILESCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2cccs2)o1
InChIInChI=1S/C15H15N3O3S2/c1-11-16-17-15(21-11)13(10-12-6-3-2-4-7-12)18-23(19,20)14-8-5-9-22-14/h2-9,13,18H,10H2,1H3
InChIKeyHIVDNJIBQUWLLO-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.70
Rot. Bonds6

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

N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide (PubChem CID 110322245) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide
PubChem CID110322245
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide
SMILESCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2cccs2)o1
InChIInChI=1S/C15H15N3O3S2/c1-11-16-17-15(21-11)13(10-12-6-3-2-4-7-12)18-23(19,20)14-8-5-9-22-14/h2-9,13,18H,10H2,1H3
InChIKeyHIVDNJIBQUWLLO-UHFFFAOYSA-N
XLogP2.70
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 110322225
2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322238
4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322240
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110322254
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide
CID 110322181
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 9185661
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
CID 9185655
1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea
CID 110322216
N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
CID 3722193
2,6-dimethoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322176
(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92715878
(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92726709

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide (CID 110322245) is N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide is Cc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2cccs2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is HIVDNJIBQUWLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-11-16-17-15(21-11)13(10-12-6-3-2-4-7-12)18-23(19,20)14-8-5-9-22-14/h2-9,13,18H,10H2,1H3.
What are the key properties of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide?
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 349.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110322245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).