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

C17H18N2O3S2 — CID 53112086

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
SMILESCc1noc(-c2ccc(S(=O)(=O)NCCc3ccccc3)s2)c1C
InChIInChI=1S/C17H18N2O3S2/c1-12-13(2)19-22-17(12)15-8-9-16(23-15)24(20,21)18-11-10-14-6-4-3-5-7-14/h3-9,18H,10-11H2,1-2H3
InChIKeyRZFWQZUSZAAVTG-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.54
Rot. Bonds6

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

5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide (PubChem CID 53112086) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
PubChem CID53112086
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
SMILESCc1noc(-c2ccc(S(=O)(=O)NCCc3ccccc3)s2)c1C
InChIInChI=1S/C17H18N2O3S2/c1-12-13(2)19-22-17(12)15-8-9-16(23-15)24(20,21)18-11-10-14-6-4-3-5-7-14/h3-9,18H,10-11H2,1-2H3
InChIKeyRZFWQZUSZAAVTG-UHFFFAOYSA-N
XLogP3.54
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
CID 20936205
2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 43456084
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53054383
5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646335
N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112129
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 53079363
N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
CID 53079419
5-chloro-4-hydroxy-3-methyl-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 91127581
N-[2-(3-methylthiophen-2-yl)ethyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112019
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646333
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
N-[(3-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936017

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide (CID 53112086) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide is Cc1noc(-c2ccc(S(=O)(=O)NCCc3ccccc3)s2)c1C.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide?
The InChIKey is RZFWQZUSZAAVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-12-13(2)19-22-17(12)15-8-9-16(23-15)24(20,21)18-11-10-14-6-4-3-5-7-14/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53112086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).