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

C13H15ClN4O3S2 — CID 22518207

IUPACN-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)N(CC)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H15ClN4O3S2/c1-3-11(19)15-12-16-17-13(22-12)23(20,21)18(4-2)10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,16,19)
InChIKeyHIRWZATXABXDJG-UHFFFAOYSA-N
MW374.88 g/mol
LogP2.76
Rot. Bonds6

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

N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 22518207) has the molecular formula C13H15ClN4O3S2 and a molecular weight of 374.88 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID22518207
Molecular FormulaC13H15ClN4O3S2
Molecular Weight374.88 g/mol
Exact Mass374.03
IUPAC NameN-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)N(CC)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H15ClN4O3S2/c1-3-11(19)15-12-16-17-13(22-12)23(20,21)18(4-2)10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,16,19)
InChIKeyHIRWZATXABXDJG-UHFFFAOYSA-N
XLogP2.76
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{5-[Ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}-2-methylpropanamide
CID 22517984
1-(3,4-Dichlorophenyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea
CID 394902
3-Methyl-N-{5-[(2-methylpropyl)(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}butanamide
CID 16017303
N-{5-[Ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}-2,2-dimethylpropanamide
CID 16017325
N-{5-[Methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}butanamide
CID 16017359
N-{5-[(4-Chlorophenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}-2-methylpropanamide
CID 16017608
N-(5-{[(4-chlorophenyl)(methyl)amino]sulfonyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 16017635
N-(5-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 24793618
N-(5-{[isobutyl(phenyl)amino]sulfonyl}-1,3,4-thiadiazol-2-yl)butanamide
CID 22517966
N-{5-[Ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}butanamide
CID 22517983
N-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)propionamide
CID 2197726
N-{5-[(4-Chlorophenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}cyclohexanecarboxamide
CID 16017610

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 22518207) is N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(S(=O)(=O)N(CC)c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is HIRWZATXABXDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3S2/c1-3-11(19)15-12-16-17-13(22-12)23(20,21)18(4-2)10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,16,19).
What are the key properties of N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 374.88 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 22518207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).