2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C18H20N4O5S2 — CID 22518203

IUPAC2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccco3)s2)cc1C
InChIInChI=1S/C18H20N4O5S2/c1-12-6-7-14(9-13(12)2)27-11-16(23)19-17-20-21-18(28-17)29(24,25)22(3)10-15-5-4-8-26-15/h4-9H,10-11H2,1-3H3,(H,19,20,23)
InChIKeyJXICWPZYHUJVGA-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.59
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 22518203) has the molecular formula C18H20N4O5S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID22518203
Molecular FormulaC18H20N4O5S2
Molecular Weight436.52 g/mol
Exact Mass436.09
IUPAC Name2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccco3)s2)cc1C
InChIInChI=1S/C18H20N4O5S2/c1-12-6-7-14(9-13(12)2)27-11-16(23)19-17-20-21-18(28-17)29(24,25)22(3)10-15-5-4-8-26-15/h4-9H,10-11H2,1-3H3,(H,19,20,23)
InChIKeyJXICWPZYHUJVGA-UHFFFAOYSA-N
XLogP2.59
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide 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-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 22518188
N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 22517578
2-(4-fluorophenoxy)-N-[5-[methyl-(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 22518072
2-(3,4-dimethylphenoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 55806817
5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43526876
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 22518170
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 18148317
N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110733668

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 22518203) is 2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccco3)s2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is JXICWPZYHUJVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S2/c1-12-6-7-14(9-13(12)2)27-11-16(23)19-17-20-21-18(28-17)29(24,25)22(3)10-15-5-4-8-26-15/h4-9H,10-11H2,1-3H3,(H,19,20,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 436.52 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 22518203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).