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

C19H18N4O6S2 — CID 50829166

IUPACN-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N4O6S2/c24-16(21-13-4-5-14-15(7-13)28-10-27-14)8-20-31(25,26)17-6-12(9-30-17)18-22-19(29-23-18)11-2-1-3-11/h4-7,9,11,20H,1-3,8,10H2,(H,21,24)
InChIKeyHWTAQHWZMILSRX-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.71
Rot. Bonds7

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

N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide (PubChem CID 50829166) has the molecular formula C19H18N4O6S2 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide
PubChem CID50829166
Molecular FormulaC19H18N4O6S2
Molecular Weight462.51 g/mol
Exact Mass462.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N4O6S2/c24-16(21-13-4-5-14-15(7-13)28-10-27-14)8-20-31(25,26)17-6-12(9-30-17)18-22-19(29-23-18)11-2-1-3-11/h4-7,9,11,20H,1-3,8,10H2,(H,21,24)
InChIKeyHWTAQHWZMILSRX-UHFFFAOYSA-N
XLogP2.71
TPSA132.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide
CID 50828976
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-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
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53042747
N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53104812
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042866
N-(1,3-benzodioxol-5-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828671
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53104805
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042744
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110295806

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide (CID 50829166) is N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The InChIKey is HWTAQHWZMILSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6S2/c24-16(21-13-4-5-14-15(7-13)28-10-27-14)8-20-31(25,26)17-6-12(9-30-17)18-22-19(29-23-18)11-2-1-3-11/h4-7,9,11,20H,1-3,8,10H2,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide has a molecular weight of 462.51 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]acetamide is sourced from PubChem (CID 50829166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).