4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine

C18H20N2O3S2 — CID 5267265

IUPAC4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCC(C)C)cc1
InChIInChI=1S/C18H20N2O3S2/c1-12(2)11-19-17-18(20-16(23-17)15-5-4-10-24-15)25(21,22)14-8-6-13(3)7-9-14/h4-10,12,19H,11H2,1-3H3
InChIKeyHUYZFTTVGKRJLM-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.61
Rot. Bonds6

About 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine

4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine (PubChem CID 5267265) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
PubChem CID5267265
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCC(C)C)cc1
InChIInChI=1S/C18H20N2O3S2/c1-12(2)11-19-17-18(20-16(23-17)15-5-4-10-24-15)25(21,22)14-8-6-13(3)7-9-14/h4-10,12,19H,11H2,1-3H3
InChIKeyHUYZFTTVGKRJLM-UHFFFAOYSA-N
XLogP4.61
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine (CID 5267265) is 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCC(C)C)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The InChIKey is HUYZFTTVGKRJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-12(2)11-19-17-18(20-16(23-17)15-5-4-10-24-15)25(21,22)14-8-6-13(3)7-9-14/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine has a molecular weight of 376.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine is sourced from PubChem (CID 5267265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).