4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide

C20H21N3O3S2 — CID 53042777

IUPAC4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCc2ccccc21)c1cc(-c2noc(C3CCC3)n2)cs1
InChIInChI=1S/C20H21N3O3S2/c24-28(25,23-17-10-4-6-13-5-1-2-9-16(13)17)18-11-15(12-27-18)19-21-20(26-22-19)14-7-3-8-14/h1-2,5,9,11-12,14,17,23H,3-4,6-8,10H2
InChIKeyGONLKDYMWZOKEO-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.42
Rot. Bonds5

About 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide

4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide (PubChem CID 53042777) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
PubChem CID53042777
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCc2ccccc21)c1cc(-c2noc(C3CCC3)n2)cs1
InChIInChI=1S/C20H21N3O3S2/c24-28(25,23-17-10-4-6-13-5-1-2-9-16(13)17)18-11-15(12-27-18)19-21-20(26-22-19)14-7-3-8-14/h1-2,5,9,11-12,14,17,23H,3-4,6-8,10H2
InChIKeyGONLKDYMWZOKEO-UHFFFAOYSA-N
XLogP4.42
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53042747
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042744
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53042877
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53042733
4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
CID 93056592
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042866
N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53104812
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide
CID 50829012
N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042813
2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 50829149
2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide
CID 50828976
N-(5-chloro-2,4-dimethoxyphenyl)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042739

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide (CID 53042777) is 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide is O=S(=O)(NC1CCCc2ccccc21)c1cc(-c2noc(C3CCC3)n2)cs1.
What is the InChIKey of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The InChIKey is GONLKDYMWZOKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c24-28(25,23-17-10-4-6-13-5-1-2-9-16(13)17)18-11-15(12-27-18)19-21-20(26-22-19)14-7-3-8-14/h1-2,5,9,11-12,14,17,23H,3-4,6-8,10H2.
What are the key properties of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide has a molecular weight of 415.54 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53042777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).