4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide

C23H26N2O4S — CID 1300203

IUPAC4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C23H26N2O4S/c1-23(2,3)19-10-12-21(13-11-19)30(27,28)25-15-17-6-8-18(9-7-17)22(26)24-16-20-5-4-14-29-20/h4-14,25H,15-16H2,1-3H3,(H,24,26)
InChIKeyZEPSFWPZUCMAAI-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.99
Rot. Bonds7

About 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1300203) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID1300203
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C23H26N2O4S/c1-23(2,3)19-10-12-21(13-11-19)30(27,28)25-15-17-6-8-18(9-7-17)22(26)24-16-20-5-4-14-29-20/h4-14,25H,15-16H2,1-3H3,(H,24,26)
InChIKeyZEPSFWPZUCMAAI-UHFFFAOYSA-N
XLogP3.99
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55868652
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863
N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059880
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
4-[3-(dimethylamino)propylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060283
4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55699972
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide
CID 17439202
4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163
4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558217

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 1300203) is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide is CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ZEPSFWPZUCMAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-23(2,3)19-10-12-21(13-11-19)30(27,28)25-15-17-6-8-18(9-7-17)22(26)24-16-20-5-4-14-29-20/h4-14,25H,15-16H2,1-3H3,(H,24,26).
What are the key properties of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 426.54 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1300203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).