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

C17H15FN2O3S2 — CID 53102984

IUPAC5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2cnc(C3CCC3)o2)s1
InChIInChI=1S/C17H15FN2O3S2/c18-12-4-6-13(7-5-12)20-25(21,22)16-9-8-15(24-16)14-10-19-17(23-14)11-2-1-3-11/h4-11,20H,1-3H2
InChIKeyCQIRQIAZXJNHNI-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.61
Rot. Bonds5

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

5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide (PubChem CID 53102984) has the molecular formula C17H15FN2O3S2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
PubChem CID53102984
Molecular FormulaC17H15FN2O3S2
Molecular Weight378.45 g/mol
Exact Mass378.05
IUPAC Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2cnc(C3CCC3)o2)s1
InChIInChI=1S/C17H15FN2O3S2/c18-12-4-6-13(7-5-12)20-25(21,22)16-9-8-15(24-16)14-10-19-17(23-14)11-2-1-3-11/h4-11,20H,1-3H2
InChIKeyCQIRQIAZXJNHNI-UHFFFAOYSA-N
XLogP4.61
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53103050
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-ethoxyphenyl)thiophene-2-sulfonamide
CID 53102898
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
CID 53103004
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-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53103094
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
CID 53103093
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-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53103065
5-(2-methyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53102851
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-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 53102929

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide (CID 53102984) is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2cnc(C3CCC3)o2)s1.
What is the InChIKey of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide?
The InChIKey is CQIRQIAZXJNHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S2/c18-12-4-6-13(7-5-12)20-25(21,22)16-9-8-15(24-16)14-10-19-17(23-14)11-2-1-3-11/h4-11,20H,1-3H2.
What are the key properties of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide?
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide has a molecular weight of 378.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53102984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).