4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

C19H21N3O4S2 — CID 56558217

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCC(C)c1nc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cs1
InChIInChI=1S/C19H21N3O4S2/c1-13(2)19-22-15(12-27-19)10-20-18(23)14-5-7-17(8-6-14)28(24,25)21-11-16-4-3-9-26-16/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,23)
InChIKeyAFKOHXXMGLBAKO-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.27
Rot. Bonds8

About 4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 56558217) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID56558217
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCC(C)c1nc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cs1
InChIInChI=1S/C19H21N3O4S2/c1-13(2)19-22-15(12-27-19)10-20-18(23)14-5-7-17(8-6-14)28(24,25)21-11-16-4-3-9-26-16/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,23)
InChIKeyAFKOHXXMGLBAKO-UHFFFAOYSA-N
XLogP3.27
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide with MolForge

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Related Compounds

1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558023
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558119
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55868652
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728120
N-[(2-ethoxy-4-pyridinyl)methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55707674
4-(azepan-1-ylsulfonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558410
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863
4-(furan-2-ylmethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548503

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 56558217) is 4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is CC(C)c1nc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cs1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is AFKOHXXMGLBAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-13(2)19-22-15(12-27-19)10-20-18(23)14-5-7-17(8-6-14)28(24,25)21-11-16-4-3-9-26-16/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 56558217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).