N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide

C23H26N2O5S — CID 17170974

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C23H26N2O5S/c1-17(2)12-14-30-20-6-3-5-18(15-20)23(26)25-19-8-10-22(11-9-19)31(27,28)24-16-21-7-4-13-29-21/h3-11,13,15,17,24H,12,14,16H2,1-2H3,(H,25,26)
InChIKeyXKUJUXXSFYWOTI-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.44
Rot. Bonds10

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide (PubChem CID 17170974) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide
PubChem CID17170974
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C23H26N2O5S/c1-17(2)12-14-30-20-6-3-5-18(15-20)23(26)25-19-8-10-22(11-9-19)31(27,28)24-16-21-7-4-13-29-21/h3-11,13,15,17,24H,12,14,16H2,1-2H3,(H,25,26)
InChIKeyXKUJUXXSFYWOTI-UHFFFAOYSA-N
XLogP4.44
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide
CID 4981718
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-(3-methylbutoxy)benzamide
CID 4981702
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide
CID 17170986
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17170977
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide
CID 4948284
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide (CID 17170974) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide is CC(C)CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide?
The InChIKey is XKUJUXXSFYWOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-17(2)12-14-30-20-6-3-5-18(15-20)23(26)25-19-8-10-22(11-9-19)31(27,28)24-16-21-7-4-13-29-21/h3-11,13,15,17,24H,12,14,16H2,1-2H3,(H,25,26).
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide has a molecular weight of 442.54 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17170974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).