4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide

C19H21N3O3S2 — CID 90608190

IUPAC4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C19H21N3O3S2/c1-19(2,3)13-6-8-14(9-7-13)27(23,24)22-15-10-11-26-16(15)18-20-17(21-25-18)12-4-5-12/h6-12,22H,4-5H2,1-3H3
InChIKeyVPMTWELLOKOQQH-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.77
Rot. Bonds5

About 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide

4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide (PubChem CID 90608190) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
PubChem CID90608190
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C19H21N3O3S2/c1-19(2,3)13-6-8-14(9-7-13)27(23,24)22-15-10-11-26-16(15)18-20-17(21-25-18)12-4-5-12/h6-12,22H,4-5H2,1-3H3
InChIKeyVPMTWELLOKOQQH-UHFFFAOYSA-N
XLogP4.77
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90608180
methyl 4-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]benzoate
CID 90608202
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607888
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90608216
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90607798
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
CID 90607864
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]cyclopropanecarboxamide
CID 90607872
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607965
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90608052
3,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90607773
1-cyclohexyl-3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90608086
N-[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]phenyl]acetamide
CID 90607762

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide (CID 90608190) is 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is VPMTWELLOKOQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-19(2,3)13-6-8-14(9-7-13)27(23,24)22-15-10-11-26-16(15)18-20-17(21-25-18)12-4-5-12/h6-12,22H,4-5H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 403.53 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 90608190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).