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

C18H19N3O4S2 — CID 53068255

IUPAC5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c1
InChIInChI=1S/C18H19N3O4S2/c1-24-14-7-2-4-12(10-14)11-19-27(22,23)16-9-8-15(26-16)18-21-20-17(25-18)13-5-3-6-13/h2,4,7-10,13,19H,3,5-6,11H2,1H3
InChIKeyKLUOZOWHEMDCMW-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.55
Rot. Bonds7

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

5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 53068255) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID53068255
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC Name5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c1
InChIInChI=1S/C18H19N3O4S2/c1-24-14-7-2-4-12(10-14)11-19-27(22,23)16-9-8-15(26-16)18-21-20-17(25-18)13-5-3-6-13/h2,4,7-10,13,19H,3,5-6,11H2,1H3
InChIKeyKLUOZOWHEMDCMW-UHFFFAOYSA-N
XLogP3.55
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53068205
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53068113
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068164
N-benzyl-5-(2-cyclopentyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 53103169
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)furan-2-sulfonamide
CID 53175627
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102955
N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068247
N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
CID 53133514
N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127446
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
CID 95068298
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53068184
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide
CID 53103180

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 53068255) is 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1cccc(CNS(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c1.
What is the InChIKey of 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is KLUOZOWHEMDCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-24-14-7-2-4-12(10-14)11-19-27(22,23)16-9-8-15(26-16)18-21-20-17(25-18)13-5-3-6-13/h2,4,7-10,13,19H,3,5-6,11H2,1H3.
What are the key properties of 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 405.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53068255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).