5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide

C19H21N3O6S — CID 53175685

IUPAC5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)cc(OC)c1
InChIInChI=1S/C19H21N3O6S/c1-25-14-9-13(10-15(11-14)26-2)22-29(23,24)17-8-7-16(27-17)19-21-20-18(28-19)12-5-3-4-6-12/h7-12,22H,3-6H2,1-2H3
InChIKeySMQYBJBDXBURBI-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.81
Rot. Bonds7

About 5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide

5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide (PubChem CID 53175685) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide
PubChem CID53175685
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)cc(OC)c1
InChIInChI=1S/C19H21N3O6S/c1-25-14-9-13(10-15(11-14)26-2)22-29(23,24)17-8-7-16(27-17)19-21-20-18(28-19)12-5-3-4-6-12/h7-12,22H,3-6H2,1-2H3
InChIKeySMQYBJBDXBURBI-UHFFFAOYSA-N
XLogP3.81
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)furan-2-sulfonamide
CID 53175627
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methylphenyl)furan-2-sulfonamide
CID 53175564
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(5-fluoro-2-methylphenyl)furan-2-sulfonamide
CID 53175653
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-cycloheptylfuran-2-sulfonamide
CID 53175630
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)furan-2-sulfonamide
CID 53175598
N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175567
5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]furan-2-sulfonamide
CID 53175709
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide
CID 53175599
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53068113
2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175715
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 20959047
2-cyclobutyl-5-[5-[(3S)-3-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 95103469

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide?
The IUPAC name of 5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide (CID 53175685) is 5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide?
The canonical SMILES for 5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide is COc1cc(NS(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)cc(OC)c1.
What is the InChIKey of 5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide?
The InChIKey is SMQYBJBDXBURBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-25-14-9-13(10-15(11-14)26-2)22-29(23,24)17-8-7-16(27-17)19-21-20-18(28-19)12-5-3-4-6-12/h7-12,22H,3-6H2,1-2H3.
What are the key properties of 5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide?
5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide has a molecular weight of 419.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide is sourced from PubChem (CID 53175685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).