5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide

C20H22N2O6S2 — CID 53103004

IUPAC5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O6S2/c1-25-14-9-13(10-15(26-2)19(14)27-3)22-30(23,24)18-8-7-17(29-18)16-11-21-20(28-16)12-5-4-6-12/h7-12,22H,4-6H2,1-3H3
InChIKeyYHNDFOKKWIZXEW-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.50
Rot. Bonds8

About 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide

5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide (PubChem CID 53103004) has the molecular formula C20H22N2O6S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
PubChem CID53103004
Molecular FormulaC20H22N2O6S2
Molecular Weight450.54 g/mol
Exact Mass450.09
IUPAC Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O6S2/c1-25-14-9-13(10-15(26-2)19(14)27-3)22-30(23,24)18-8-7-17(29-18)16-11-21-20(28-16)12-5-4-6-12/h7-12,22H,4-6H2,1-3H3
InChIKeyYHNDFOKKWIZXEW-UHFFFAOYSA-N
XLogP4.50
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
CID 53102984
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53103014
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53103050
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53103094
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-ethoxyphenyl)thiophene-2-sulfonamide
CID 53102898
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
CID 53103093
N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 53102768
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53103065
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide
CID 53103047
N-benzyl-5-(2-cyclopentyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 53103169
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide
CID 53103180
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102955

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide (CID 53103004) is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide is COc1cc(NS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc(OC)c1OC.
What is the InChIKey of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is YHNDFOKKWIZXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S2/c1-25-14-9-13(10-15(26-2)19(14)27-3)22-30(23,24)18-8-7-17(29-18)16-11-21-20(28-16)12-5-4-6-12/h7-12,22H,4-6H2,1-3H3.
What are the key properties of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide?
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 450.54 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53103004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).