(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

C18H17N3O6S2 — CID 55536740

IUPAC(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2noc(-c3ccsc3)n2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C18H17N3O6S2/c1-25-14-5-2-11(8-15(14)29(23,24)21-13-3-4-13)18(22)26-9-16-19-17(27-20-16)12-6-7-28-10-12/h2,5-8,10,13,21H,3-4,9H2,1H3
InChIKeyKFTQJDKTUIDBNJ-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.60
Rot. Bonds8

About (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (PubChem CID 55536740) has the molecular formula C18H17N3O6S2 and a molecular weight of 435.48 g/mol. Its IUPAC name is (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
PubChem CID55536740
Molecular FormulaC18H17N3O6S2
Molecular Weight435.48 g/mol
Exact Mass435.06
IUPAC Name(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2noc(-c3ccsc3)n2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C18H17N3O6S2/c1-25-14-5-2-11(8-15(14)29(23,24)21-13-3-4-13)18(22)26-9-16-19-17(27-20-16)12-6-7-28-10-12/h2,5-8,10,13,21H,3-4,9H2,1H3
InChIKeyKFTQJDKTUIDBNJ-UHFFFAOYSA-N
XLogP2.60
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate with MolForge

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Related Compounds

1,3-benzoxazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700583
3-(cyclopropylsulfamoyl)-4-methoxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 56503326
(3-methylquinoxalin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 46819279
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700570
2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 9380316
(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991073
[2-(1-adamantyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702712
N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120869072
(2-chloro-6-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991085
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 16570626
[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519308
[4-(2-cyanophenyl)phenyl]methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 30292306

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (CID 55536740) is (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)OCc2noc(-c3ccsc3)n2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The InChIKey is KFTQJDKTUIDBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S2/c1-25-14-5-2-11(8-15(14)29(23,24)21-13-3-4-13)18(22)26-9-16-19-17(27-20-16)12-6-7-28-10-12/h2,5-8,10,13,21H,3-4,9H2,1H3.
What are the key properties of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate has a molecular weight of 435.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 55536740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).