N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C19H17N3O5S2 — CID 90502612

IUPACN-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)cc1
InChIInChI=1S/C19H17N3O5S2/c1-12(23)22-29(25,26)14-6-4-13(5-7-14)20-18(24)19(8-9-19)17-11-15(27-21-17)16-3-2-10-28-16/h2-7,10-11H,8-9H2,1H3,(H,20,24)(H,22,23)
InChIKeyVQEDXENSQXVZEC-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.90
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90502612) has the molecular formula C19H17N3O5S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90502612
Molecular FormulaC19H17N3O5S2
Molecular Weight431.50 g/mol
Exact Mass431.06
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)cc1
InChIInChI=1S/C19H17N3O5S2/c1-12(23)22-29(25,26)14-6-4-13(5-7-14)20-18(24)19(8-9-19)17-11-15(27-21-17)16-3-2-10-28-16/h2-7,10-11H,8-9H2,1H3,(H,20,24)(H,22,23)
InChIKeyVQEDXENSQXVZEC-UHFFFAOYSA-N
XLogP2.90
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502598
N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502682
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 90502702
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502732
N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502740
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
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502473
N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502699
N-benzhydryl-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502552
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
CID 102543851
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropyl]methanone
CID 90502501
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 N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90502612) is N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is VQEDXENSQXVZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S2/c1-12(23)22-29(25,26)14-6-4-13(5-7-14)20-18(24)19(8-9-19)17-11-15(27-21-17)16-3-2-10-28-16/h2-7,10-11H,8-9H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90502612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).