(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C17H18N4O4S3 — CID 31281892

About (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 31281892) has the molecular formula C17H18N4O4S3 and a molecular weight of 438.56 g/mol. Its IUPAC name is (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
• PubChem CID: 31281892
• Molecular Formula: C17H18N4O4S3
• Molecular Weight: 438.56 g/mol
• Exact Mass: 438.05
• IUPAC Name: (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
• SMILES: C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
• InChI: InChI=1S/C17H18N4O4S3/c1-11(27-17-20-19-16(25-17)14-8-5-9-26-14)15(22)18-12-6-4-7-13(10-12)28(23,24)21(2)3/h4-11H,1-3H3,(H,18,22)/t11-/m1/s1
• InChIKey: REVUAMUVSGMSHE-LLVKDONJSA-N
• XLogP: 3.17
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.56
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

The IUPAC name of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 31281892) is (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

What is the SMILES notation for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

The canonical SMILES for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.

What is the InChIKey of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

The InChIKey is REVUAMUVSGMSHE-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O4S3/c1-11(27-17-20-19-16(25-17)14-8-5-9-26-14)15(22)18-12-6-4-7-13(10-12)28(23,24)21(2)3/h4-11H,1-3H3,(H,18,22)/t11-/m1/s1.

What are the key properties of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 438.56 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 31281892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).