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

C17H21N3O5S2 — CID 160781972

IUPACN-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NCc3cccc(O)c3)o2)s1.[H][H].[H][H]
InChIInChI=1S/C17H17N3O5S2.2H2/c1-10-16(26-17(19-10)20-11(2)21)14-6-7-15(25-14)27(23,24)18-9-12-4-3-5-13(22)8-12;;/h3-8,18,22H,9H2,1-2H3,(H,19,20,21);2*1H
InChIKeySARVLMXCDOPTRJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.35
Rot. Bonds6

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

N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen (PubChem CID 160781972) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
PubChem CID160781972
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC NameN-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NCc3cccc(O)c3)o2)s1.[H][H].[H][H]
InChIInChI=1S/C17H17N3O5S2.2H2/c1-10-16(26-17(19-10)20-11(2)21)14-6-7-15(25-14)27(23,24)18-9-12-4-3-5-13(22)8-12;;/h3-8,18,22H,9H2,1-2H3,(H,19,20,21);2*1H
InChIKeySARVLMXCDOPTRJ-UHFFFAOYSA-N
XLogP3.35
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 59362171
N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 158251335
N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 143638089
N-[5-[5-[(2-fluorophenyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 59362205
N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 59362186
N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87061286
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 61018710
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
5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide
CID 59362159
5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 54903909

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
The IUPAC name of N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen (CID 160781972) is N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen is CC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NCc3cccc(O)c3)o2)s1.[H][H].[H][H].
What is the InChIKey of N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
The InChIKey is SARVLMXCDOPTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S2.2H2/c1-10-16(26-17(19-10)20-11(2)21)14-6-7-15(25-14)27(23,24)18-9-12-4-3-5-13(22)8-12;;/h3-8,18,22H,9H2,1-2H3,(H,19,20,21);2*1H.
What are the key properties of N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen has a molecular weight of 411.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3-hydroxyphenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 160781972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).