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

C16H20N4O5S2 — CID 50829012

IUPAC4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1)N1CCOCC1
InChIInChI=1S/C16H20N4O5S2/c21-13(20-4-6-24-7-5-20)9-17-27(22,23)14-8-12(10-26-14)15-18-16(25-19-15)11-2-1-3-11/h8,10-11,17H,1-7,9H2
InChIKeyRPZJKDDWWXAMKC-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.20
Rot. Bonds6

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

4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide (PubChem CID 50829012) has the molecular formula C16H20N4O5S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide
PubChem CID50829012
Molecular FormulaC16H20N4O5S2
Molecular Weight412.49 g/mol
Exact Mass412.09
IUPAC Name4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1)N1CCOCC1
InChIInChI=1S/C16H20N4O5S2/c21-13(20-4-6-24-7-5-20)9-17-27(22,23)14-8-12(10-26-14)15-18-16(25-19-15)11-2-1-3-11/h8,10-11,17H,1-7,9H2
InChIKeyRPZJKDDWWXAMKC-UHFFFAOYSA-N
XLogP1.20
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide
CID 50829166
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
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopentylthiophene-2-sulfonamide
CID 53042743
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53042747
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 53104824
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 53042904
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042744
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 53042777
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53042877
N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53104812
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one
CID 71843413

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide (CID 50829012) is 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide is O=C(CNS(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1)N1CCOCC1.
What is the InChIKey of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide?
The InChIKey is RPZJKDDWWXAMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S2/c21-13(20-4-6-24-7-5-20)9-17-27(22,23)14-8-12(10-26-14)15-18-16(25-19-15)11-2-1-3-11/h8,10-11,17H,1-7,9H2.
What are the key properties of 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide?
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide has a molecular weight of 412.49 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 50829012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).