2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide

C18H20N2O3S2 — CID 20958988

IUPAC2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)NCCc3sccc3C)c2)o1
InChIInChI=1S/C18H20N2O3S2/c1-12-7-9-24-17(12)6-8-20-25(21,22)18-10-15(5-4-13(18)2)16-11-19-14(3)23-16/h4-5,7,9-11,20H,6,8H2,1-3H3
InChIKeyCUKLLXUFUCKWCN-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.85
Rot. Bonds6

About 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide

2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 20958988) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID20958988
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)NCCc3sccc3C)c2)o1
InChIInChI=1S/C18H20N2O3S2/c1-12-7-9-24-17(12)6-8-20-25(21,22)18-10-15(5-4-13(18)2)16-11-19-14(3)23-16/h4-5,7,9-11,20H,6,8H2,1-3H3
InChIKeyCUKLLXUFUCKWCN-UHFFFAOYSA-N
XLogP3.85
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 20958988) is 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide is Cc1ncc(-c2ccc(C)c(S(=O)(=O)NCCc3sccc3C)c2)o1.
What is the InChIKey of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is CUKLLXUFUCKWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-12-7-9-24-17(12)6-8-20-25(21,22)18-10-15(5-4-13(18)2)16-11-19-14(3)23-16/h4-5,7,9-11,20H,6,8H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 20958988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).