N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen

C18H21N3O4S2 — CID 158251335

IUPACN-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)o2)s1.[H][H]
InChIInChI=1S/C18H19N3O4S2.H2/c1-12-17(26-18(19-12)20-13(2)22)15-9-10-16(25-15)27(23,24)21(3)11-14-7-5-4-6-8-14;/h4-10H,11H2,1-3H3,(H,19,20,22);1H
InChIKeyGGTDBPWVFHWCCN-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.74
Rot. Bonds6

About N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen

N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen (PubChem CID 158251335) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
PubChem CID158251335
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)o2)s1.[H][H]
InChIInChI=1S/C18H19N3O4S2.H2/c1-12-17(26-18(19-12)20-13(2)22)15-9-10-16(25-15)27(23,24)21(3)11-14-7-5-4-6-8-14;/h4-10H,11H2,1-3H3,(H,19,20,22);1H
InChIKeyGGTDBPWVFHWCCN-UHFFFAOYSA-N
XLogP3.74
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen 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-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 143638089
N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 160781972
N-[5-[5-[(3-iodophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 159514639
N-[5-[5-[(3-fluorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 59362182
N-[5-[5-[(2-fluorophenyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 59362205
N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 59362171
N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 59362186
N-[5-[5-(dimethylsulfamoyl)furan-2-yl]-4-methyl-1,3-thiazol-2-yl]-N-methylacetamide
CID 71120444
5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)furan-2-carboxylic acid;N-[5-(5-formylfuran-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 158490935
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 82161324

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
The IUPAC name of N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen (CID 158251335) is N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen is CC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)o2)s1.[H][H].
What is the InChIKey of N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
The InChIKey is GGTDBPWVFHWCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2.H2/c1-12-17(26-18(19-12)20-13(2)22)15-9-10-16(25-15)27(23,24)21(3)11-14-7-5-4-6-8-14;/h4-10H,11H2,1-3H3,(H,19,20,22);1H.
What are the key properties of N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen has a molecular weight of 407.52 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 158251335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).