5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide

C18H19N3O3S2 — CID 18525686

IUPAC5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2ccno2)s1
InChIInChI=1S/C18H19N3O3S2/c22-26(23,18-9-8-17(25-18)16-10-11-19-24-16)20-14-4-6-15(7-5-14)21-12-2-1-3-13-21/h4-11,20H,1-3,12-13H2
InChIKeyPOIUWOGJAIACIY-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.19
Rot. Bonds5

About 5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide

5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide (PubChem CID 18525686) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide
PubChem CID18525686
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2ccno2)s1
InChIInChI=1S/C18H19N3O3S2/c22-26(23,18-9-8-17(25-18)16-10-11-19-24-16)20-14-4-6-15(7-5-14)21-12-2-1-3-13-21/h4-11,20H,1-3,12-13H2
InChIKeyPOIUWOGJAIACIY-UHFFFAOYSA-N
XLogP4.19
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide (CID 18525686) is 5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2ccno2)s1.
What is the InChIKey of 5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is POIUWOGJAIACIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c22-26(23,18-9-8-17(25-18)16-10-11-19-24-16)20-14-4-6-15(7-5-14)21-12-2-1-3-13-21/h4-11,20H,1-3,12-13H2.
What are the key properties of 5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide?
5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 389.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-5-yl)-N-(4-piperidin-1-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 18525686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).