5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide

C18H20N4O4S2 — CID 95092491

IUPAC5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC[C@H](NC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1)c1cccs1
InChIInChI=1S/C18H20N4O4S2/c1-4-14(15-6-5-11-27-15)19-16(23)18-21-20-17(26-18)12-7-9-13(10-8-12)28(24,25)22(2)3/h5-11,14H,4H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyCOWUDSZBLMDNKX-AWEZNQCLSA-N
MW420.52 g/mol
LogP2.93
Rot. Bonds7

About 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide

5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 95092491) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID95092491
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC Name5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC[C@H](NC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1)c1cccs1
InChIInChI=1S/C18H20N4O4S2/c1-4-14(15-6-5-11-27-15)19-16(23)18-21-20-17(26-18)12-7-9-13(10-8-12)28(24,25)22(2)3/h5-11,14H,4H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyCOWUDSZBLMDNKX-AWEZNQCLSA-N
XLogP2.93
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide with MolForge

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Related Compounds

5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide
CID 95092482
N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53011963
N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53011956
4-[cyclohexyl(methyl)sulfamoyl]-N-(1-thiophen-2-ylpropyl)benzamide
CID 55908392
N-[(2,3-dimethoxyphenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53131909
4-(dimethylsulfamoyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918075
4-(ethylsulfamoyl)-N-(1-thiophen-2-ylpropyl)benzamide
CID 55954354
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592
4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853824
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43977681
5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 55229031
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide (CID 95092491) is 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide is CC[C@H](NC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1)c1cccs1.
What is the InChIKey of 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is COWUDSZBLMDNKX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-4-14(15-6-5-11-27-15)19-16(23)18-21-20-17(26-18)12-7-9-13(10-8-12)28(24,25)22(2)3/h5-11,14H,4H2,1-3H3,(H,19,23)/t14-/m0/s1.
What are the key properties of 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide?
5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 95092491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).