4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

C20H17N3O3S2 — CID 91630721

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCc3cncc(-c4cccs4)c3)cc2)co1
InChIInChI=1S/C20H17N3O3S2/c1-14-23-19(13-26-14)16-4-6-18(7-5-16)28(24,25)22-11-15-9-17(12-21-10-15)20-3-2-8-27-20/h2-10,12-13,22H,11H2,1H3
InChIKeyZHAZDOPYVSWQLD-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.25
Rot. Bonds6

About 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91630721) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID91630721
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCc3cncc(-c4cccs4)c3)cc2)co1
InChIInChI=1S/C20H17N3O3S2/c1-14-23-19(13-26-14)16-4-6-18(7-5-16)28(24,25)22-11-15-9-17(12-21-10-15)20-3-2-8-27-20/h2-10,12-13,22H,11H2,1H3
InChIKeyZHAZDOPYVSWQLD-UHFFFAOYSA-N
XLogP4.25
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 91630721) is 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NCc3cncc(-c4cccs4)c3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is ZHAZDOPYVSWQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-14-23-19(13-26-14)16-4-6-18(7-5-16)28(24,25)22-11-15-9-17(12-21-10-15)20-3-2-8-27-20/h2-10,12-13,22H,11H2,1H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 411.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91630721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).