1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C23H18N4O6S2 — CID 90504706

IUPAC1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1
InChIInChI=1S/C23H18N4O6S2/c28-21(25-15-2-4-16(5-3-15)35(29,30)27-22-24-9-10-34-22)23(7-8-23)20-12-18(33-26-20)14-1-6-17-19(11-14)32-13-31-17/h1-6,9-12H,7-8,13H2,(H,24,27)(H,25,28)
InChIKeySPLFKRLCKRLJES-UHFFFAOYSA-N
MW510.55 g/mol
LogP4.00
Rot. Bonds7

About 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 90504706) has the molecular formula C23H18N4O6S2 and a molecular weight of 510.55 g/mol. Its IUPAC name is 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID90504706
Molecular FormulaC23H18N4O6S2
Molecular Weight510.55 g/mol
Exact Mass510.07
IUPAC Name1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1
InChIInChI=1S/C23H18N4O6S2/c28-21(25-15-2-4-16(5-3-15)35(29,30)27-22-24-9-10-34-22)23(7-8-23)20-12-18(33-26-20)14-1-6-17-19(11-14)32-13-31-17/h1-6,9-12H,7-8,13H2,(H,24,27)(H,25,28)
InChIKeySPLFKRLCKRLJES-UHFFFAOYSA-N
XLogP4.00
TPSA132.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 90504744
2-(1,3-benzodioxol-5-yloxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 17310281
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90504763
N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504429
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90504673
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 90504663
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 90504714
N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502612
5-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17013075
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
CID 90504781
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-oxothiolan-3-yl)cyclopropane-1-carboxamide
CID 90504804
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 90504108

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 90504706) is 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1.
What is the InChIKey of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is SPLFKRLCKRLJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O6S2/c28-21(25-15-2-4-16(5-3-15)35(29,30)27-22-24-9-10-34-22)23(7-8-23)20-12-18(33-26-20)14-1-6-17-19(11-14)32-13-31-17/h1-6,9-12H,7-8,13H2,(H,24,27)(H,25,28).
What are the key properties of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 510.55 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90504706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).