N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

C18H26N2O3S2 — CID 53057188

IUPACN-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2c(C)sc(C)c2S(=O)(=O)NC2CCCCCCC2)on1
InChIInChI=1S/C18H26N2O3S2/c1-12-11-16(23-19-12)17-13(2)24-14(3)18(17)25(21,22)20-15-9-7-5-4-6-8-10-15/h11,15,20H,4-10H2,1-3H3
InChIKeyFFKUJSXDDVORTC-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.72
Rot. Bonds4

About N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53057188) has the molecular formula C18H26N2O3S2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53057188
Molecular FormulaC18H26N2O3S2
Molecular Weight382.55 g/mol
Exact Mass382.14
IUPAC NameN-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2c(C)sc(C)c2S(=O)(=O)NC2CCCCCCC2)on1
InChIInChI=1S/C18H26N2O3S2/c1-12-11-16(23-19-12)17-13(2)24-14(3)18(17)25(21,22)20-15-9-7-5-4-6-8-10-15/h11,15,20H,4-10H2,1-3H3
InChIKeyFFKUJSXDDVORTC-UHFFFAOYSA-N
XLogP4.72
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057186
N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 46393013
N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057200
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057236
N-(2-bromo-4-methylphenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057224
N-[4-(cyclohexylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911307
N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079450
N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20917435
4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
CID 7938165
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936500
5-chloro-N-cyclohexyl-4-methylthiophene-2-sulfonamide
CID 103099871

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53057188) is N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)NC2CCCCCCC2)on1.
What is the InChIKey of N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is FFKUJSXDDVORTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S2/c1-12-11-16(23-19-12)17-13(2)24-14(3)18(17)25(21,22)20-15-9-7-5-4-6-8-10-15/h11,15,20H,4-10H2,1-3H3.
What are the key properties of N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 382.55 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).