5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide

C20H22N2O4S2 — CID 53103065

IUPAC5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1
InChIInChI=1S/C20H22N2O4S2/c1-2-25-16-9-4-3-6-15(16)12-22-28(23,24)19-11-10-18(27-19)17-13-21-20(26-17)14-7-5-8-14/h3-4,6,9-11,13-14,22H,2,5,7-8,12H2,1H3
InChIKeyGZWLFCJKOBZPOL-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.55
Rot. Bonds8

About 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide

5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 53103065) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID53103065
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1
InChIInChI=1S/C20H22N2O4S2/c1-2-25-16-9-4-3-6-15(16)12-22-28(23,24)19-11-10-18(27-19)17-13-21-20(26-17)14-7-5-8-14/h3-4,6,9-11,13-14,22H,2,5,7-8,12H2,1H3
InChIKeyGZWLFCJKOBZPOL-UHFFFAOYSA-N
XLogP4.55
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102953
N-benzyl-5-(2-cyclopentyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 53103169
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide
CID 53103047
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide
CID 53103180
N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068104
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102955
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-ethoxyphenyl)thiophene-2-sulfonamide
CID 53102898
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068164
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53103094
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-cyclopentyl-1,3-oxazol-5-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
CID 53103093

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide (CID 53103065) is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide is CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1.
What is the InChIKey of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is GZWLFCJKOBZPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c1-2-25-16-9-4-3-6-15(16)12-22-28(23,24)19-11-10-18(27-19)17-13-21-20(26-17)14-7-5-8-14/h3-4,6,9-11,13-14,22H,2,5,7-8,12H2,1H3.
What are the key properties of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide?
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 418.54 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53103065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).