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

C17H15N3O4S2 — CID 90608180

IUPAC4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H15N3O4S2/c1-10(21)11-4-6-13(7-5-11)26(22,23)20-14-8-9-25-15(14)17-18-16(19-24-17)12-2-3-12/h4-9,12,20H,2-3H2,1H3
InChIKeyVDFJYVMHDUMWAK-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.68
Rot. Bonds6

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

4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide (PubChem CID 90608180) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
PubChem CID90608180
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC Name4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H15N3O4S2/c1-10(21)11-4-6-13(7-5-11)26(22,23)20-14-8-9-25-15(14)17-18-16(19-24-17)12-2-3-12/h4-9,12,20H,2-3H2,1H3
InChIKeyVDFJYVMHDUMWAK-UHFFFAOYSA-N
XLogP3.68
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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]benzenesulfonamide
CID 90608190
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]propanamide
CID 90607864
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607965
N-[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]sulfamoyl]phenyl]acetamide
CID 90607762
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]-3,4-difluorobenzamide
CID 90607912
1-cyclohexyl-3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90608086
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(2-methoxyethyl)urea
CID 90608125
3-chloro-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607906
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90608216

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide (CID 90608180) is 4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is VDFJYVMHDUMWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c1-10(21)11-4-6-13(7-5-11)26(22,23)20-14-8-9-25-15(14)17-18-16(19-24-17)12-2-3-12/h4-9,12,20H,2-3H2,1H3.
What are the key properties of 4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide?
4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 389.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 90608180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).