N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C17H15Cl2N3O4S2 — CID 59362171

IUPACN-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3)o2)s1
InChIInChI=1S/C17H15Cl2N3O4S2/c1-9-16(27-17(21-9)22-10(2)23)14-3-4-15(26-14)28(24,25)20-8-11-5-12(18)7-13(19)6-11/h3-7,20H,8H2,1-2H3,(H,21,22,23)
InChIKeyGGIKQPPYXZLCMS-UHFFFAOYSA-N
MW460.36 g/mol
LogP4.46
Rot. Bonds6

About N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 59362171) has the molecular formula C17H15Cl2N3O4S2 and a molecular weight of 460.36 g/mol. Its IUPAC name is N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID59362171
Molecular FormulaC17H15Cl2N3O4S2
Molecular Weight460.36 g/mol
Exact Mass458.99
IUPAC NameN-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3)o2)s1
InChIInChI=1S/C17H15Cl2N3O4S2/c1-9-16(27-17(21-9)22-10(2)23)14-3-4-15(26-14)28(24,25)20-8-11-5-12(18)7-13(19)6-11/h3-7,20H,8H2,1-2H3,(H,21,22,23)
InChIKeyGGIKQPPYXZLCMS-UHFFFAOYSA-N
XLogP4.46
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 59362171) is N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3)o2)s1.
What is the InChIKey of N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is GGIKQPPYXZLCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O4S2/c1-9-16(27-17(21-9)22-10(2)23)14-3-4-15(26-14)28(24,25)20-8-11-5-12(18)7-13(19)6-11/h3-7,20H,8H2,1-2H3,(H,21,22,23).
What are the key properties of N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 460.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 59362171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).