2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide

C12H21N3O4S — CID 47280099

IUPAC2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C12H21N3O4S/c1-9(2)15(8-11(13)16)7-10-5-6-12(19-10)20(17,18)14(3)4/h5-6,9H,7-8H2,1-4H3,(H2,13,16)
InChIKeyZPXDQSBDJYZOJI-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.23
Rot. Bonds7

About 2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide

2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide (PubChem CID 47280099) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide
PubChem CID47280099
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C12H21N3O4S/c1-9(2)15(8-11(13)16)7-10-5-6-12(19-10)20(17,18)14(3)4/h5-6,9H,7-8H2,1-4H3,(H2,13,16)
InChIKeyZPXDQSBDJYZOJI-UHFFFAOYSA-N
XLogP0.23
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide (CID 47280099) is 2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)Cc1ccc(S(=O)(=O)N(C)C)o1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide?
The InChIKey is ZPXDQSBDJYZOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-9(2)15(8-11(13)16)7-10-5-6-12(19-10)20(17,18)14(3)4/h5-6,9H,7-8H2,1-4H3,(H2,13,16).
What are the key properties of 2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide?
2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide has a molecular weight of 303.38 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)furan-2-yl]methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 47280099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).