3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide

C19H22N4O3S3 — CID 55922761

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2nnc(-c3ccsc3)s2)cc1
InChIInChI=1S/C19H22N4O3S3/c1-3-23(4-2)29(25,26)16-8-5-14(6-9-16)7-10-17(24)20-19-22-21-18(28-19)15-11-12-27-13-15/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,20,22,24)
InChIKeyBZANAIQKCWYVMX-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.87
Rot. Bonds9

About 3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 55922761) has the molecular formula C19H22N4O3S3 and a molecular weight of 450.61 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID55922761
Molecular FormulaC19H22N4O3S3
Molecular Weight450.61 g/mol
Exact Mass450.09
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2nnc(-c3ccsc3)s2)cc1
InChIInChI=1S/C19H22N4O3S3/c1-3-23(4-2)29(25,26)16-8-5-14(6-9-16)7-10-17(24)20-19-22-21-18(28-19)15-11-12-27-13-15/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,20,22,24)
InChIKeyBZANAIQKCWYVMX-UHFFFAOYSA-N
XLogP3.87
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 56503193
N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46828199
3-[(4-acetylphenyl)sulfonylamino]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 56503578
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide
CID 55370603
3-[(4-bromophenyl)sulfonyl-propylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 42736687
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 100502315
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361
3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide
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N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide
CID 101025089
3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide
CID 55436052
N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 78801819
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
CID 51211052

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 55922761) is 3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2nnc(-c3ccsc3)s2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is BZANAIQKCWYVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S3/c1-3-23(4-2)29(25,26)16-8-5-14(6-9-16)7-10-17(24)20-19-22-21-18(28-19)15-11-12-27-13-15/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,20,22,24).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 450.61 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 55922761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).