5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C17H17N3O3S2 — CID 46365811

IUPAC5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C17H17N3O3S2/c1-11-4-5-13(16-19-17(23-20-16)12-6-7-12)9-15(11)25(21,22)18-10-14-3-2-8-24-14/h2-5,8-9,12,18H,6-7,10H2,1H3
InChIKeyZZXVPGYIVCODIH-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.46
Rot. Bonds6

About 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 46365811) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID46365811
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C17H17N3O3S2/c1-11-4-5-13(16-19-17(23-20-16)12-6-7-12)9-15(11)25(21,22)18-10-14-3-2-8-24-14/h2-5,8-9,12,18H,6-7,10H2,1H3
InChIKeyZZXVPGYIVCODIH-UHFFFAOYSA-N
XLogP3.46
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 53056993
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide
CID 92895603
2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 50823581
(2R)-N-cycloheptyl-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 92880619
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 53095647
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 92880630
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-2-methylbenzenesulfonamide
CID 50823583
N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823627
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 92895596
N-(3-chloro-4-methylphenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823775
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50822038
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50821694

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 46365811) is 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZZXVPGYIVCODIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-11-4-5-13(16-19-17(23-20-16)12-6-7-12)9-15(11)25(21,22)18-10-14-3-2-8-24-14/h2-5,8-9,12,18H,6-7,10H2,1H3.
What are the key properties of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 375.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 46365811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).