2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide

C18H16F2N4O4S2 — CID 50828976

IUPAC2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CNS(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N4O4S2/c19-13-5-4-12(7-14(13)20)22-15(25)8-21-30(26,27)16-6-11(9-29-16)17-23-18(28-24-17)10-2-1-3-10/h4-7,9-10,21H,1-3,8H2,(H,22,25)
InChIKeyCIPCPMCAWWDCSF-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.26
Rot. Bonds7

About 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide

2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 50828976) has the molecular formula C18H16F2N4O4S2 and a molecular weight of 454.48 g/mol. Its IUPAC name is 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide
PubChem CID50828976
Molecular FormulaC18H16F2N4O4S2
Molecular Weight454.48 g/mol
Exact Mass454.06
IUPAC Name2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CNS(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N4O4S2/c19-13-5-4-12(7-14(13)20)22-15(25)8-21-30(26,27)16-6-11(9-29-16)17-23-18(28-24-17)10-2-1-3-10/h4-7,9-10,21H,1-3,8H2,(H,22,25)
InChIKeyCIPCPMCAWWDCSF-UHFFFAOYSA-N
XLogP3.26
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042866
2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 50829149
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-2-sulfonamide
CID 50829012
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-cyclopentylthiophene-2-sulfonamide
CID 53042743
N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042813
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-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53104805
N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53104812
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53043034

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide (CID 50828976) is 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide is O=C(CNS(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is CIPCPMCAWWDCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O4S2/c19-13-5-4-12(7-14(13)20)22-15(25)8-21-30(26,27)16-6-11(9-29-16)17-23-18(28-24-17)10-2-1-3-10/h4-7,9-10,21H,1-3,8H2,(H,22,25).
What are the key properties of 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide?
2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 454.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 50828976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).