N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide

C13H17N3O4S2 — CID 71120444

IUPACN-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(C)c(-c2ccc(S(=O)(=O)N(C)C)o2)s1
InChIInChI=1S/C13H17N3O4S2/c1-8-12(21-13(14-8)16(5)9(2)17)10-6-7-11(20-10)22(18,19)15(3)4/h6-7H,1-5H3
InChIKeyLUANWLQNYZKHLC-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.94
Rot. Bonds4

About N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide

N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 71120444) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID71120444
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC NameN-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(C)c(-c2ccc(S(=O)(=O)N(C)C)o2)s1
InChIInChI=1S/C13H17N3O4S2/c1-8-12(21-13(14-8)16(5)9(2)17)10-6-7-11(20-10)22(18,19)15(3)4/h6-7H,1-5H3
InChIKeyLUANWLQNYZKHLC-UHFFFAOYSA-N
XLogP1.94
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide (CID 71120444) is N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide is CC(=O)N(C)c1nc(C)c(-c2ccc(S(=O)(=O)N(C)C)o2)s1.
What is the InChIKey of N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is LUANWLQNYZKHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c1-8-12(21-13(14-8)16(5)9(2)17)10-6-7-11(20-10)22(18,19)15(3)4/h6-7H,1-5H3.
What are the key properties of N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide?
N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 343.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 71120444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).