N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide

C14H13ClN6O4S2 — CID 100515290

IUPACN-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)s1
InChIInChI=1S/C14H13ClN6O4S2/c1-2-10(22)17-13-19-20-14(26-13)27(23,24)16-7-11-18-12(21-25-11)8-5-3-4-6-9(8)15/h3-6,16H,2,7H2,1H3,(H,17,19,22)
InChIKeyNFPFATSSSIUVRY-UHFFFAOYSA-N
MW428.88 g/mol
LogP2.07
Rot. Bonds7

About N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide

N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 100515290) has the molecular formula C14H13ClN6O4S2 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID100515290
Molecular FormulaC14H13ClN6O4S2
Molecular Weight428.88 g/mol
Exact Mass428.01
IUPAC NameN-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)s1
InChIInChI=1S/C14H13ClN6O4S2/c1-2-10(22)17-13-19-20-14(26-13)27(23,24)16-7-11-18-12(21-25-11)8-5-3-4-6-9(8)15/h3-6,16H,2,7H2,1H3,(H,17,19,22)
InChIKeyNFPFATSSSIUVRY-UHFFFAOYSA-N
XLogP2.07
TPSA139.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100628997
N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100568826
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 110323112
N-[5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 100540250
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-[5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100510294
4-chloro-N-[5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100687525
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 131903404
N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100748256
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100760488
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethyl-4-methoxybenzenesulfonamide
CID 66485547

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 100515290) is N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)s1.
What is the InChIKey of N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is NFPFATSSSIUVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O4S2/c1-2-10(22)17-13-19-20-14(26-13)27(23,24)16-7-11-18-12(21-25-11)8-5-3-4-6-9(8)15/h3-6,16H,2,7H2,1H3,(H,17,19,22).
What are the key properties of N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 428.88 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 100515290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).