4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C15H14N2O3S2 — CID 22583127

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)co1
InChIInChI=1S/C15H14N2O3S2/c1-11-17-15(10-20-11)12-4-6-14(7-5-12)22(18,19)16-9-13-3-2-8-21-13/h2-8,10,16H,9H2,1H3
InChIKeyIMRNNMDTEXSMHC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.19
Rot. Bonds5

About 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 22583127) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID22583127
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)co1
InChIInChI=1S/C15H14N2O3S2/c1-11-17-15(10-20-11)12-4-6-14(7-5-12)22(18,19)16-9-13-3-2-8-21-13/h2-8,10,16H,9H2,1H3
InChIKeyIMRNNMDTEXSMHC-UHFFFAOYSA-N
XLogP3.19
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 22583127) is 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is IMRNNMDTEXSMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-11-17-15(10-20-11)12-4-6-14(7-5-12)22(18,19)16-9-13-3-2-8-21-13/h2-8,10,16H,9H2,1H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 22583127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).