5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide

C17H18N2O3S2 — CID 20936205

IUPAC5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCCCc3ccccc3)s2)on1
InChIInChI=1S/C17H18N2O3S2/c1-13-12-15(22-19-13)16-9-10-17(23-16)24(20,21)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3
InChIKeyONOQOMZNJOLCTR-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.62
Rot. Bonds7

About 5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide

5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide (PubChem CID 20936205) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
PubChem CID20936205
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCCCc3ccccc3)s2)on1
InChIInChI=1S/C17H18N2O3S2/c1-13-12-15(22-19-13)16-9-10-17(23-16)24(20,21)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3
InChIKeyONOQOMZNJOLCTR-UHFFFAOYSA-N
XLogP3.62
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 53112086
5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylthiophene-2-sulfonamide
CID 20936287
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284
5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid
CID 87522048
ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950118
N-(2-ethoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936262
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936314
5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 20936312
N-[1-(furan-2-yl)propan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936303
5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 90537815

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide (CID 20936205) is 5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NCCCc3ccccc3)s2)on1.
What is the InChIKey of 5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide?
The InChIKey is ONOQOMZNJOLCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-13-12-15(22-19-13)16-9-10-17(23-16)24(20,21)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3.
What are the key properties of 5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide?
5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20936205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).