3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide

C21H21BrN2O5S — CID 17170986

IUPAC3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1Br
InChIInChI=1S/C21H21BrN2O5S/c1-14(2)29-20-10-5-15(12-19(20)22)21(25)24-16-6-8-18(9-7-16)30(26,27)23-13-17-4-3-11-28-17/h3-12,14,23H,13H2,1-2H3,(H,24,25)
InChIKeyADEUZNQRPMKNET-UHFFFAOYSA-N
MW493.38 g/mol
LogP4.56
Rot. Bonds8

About 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide

3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide (PubChem CID 17170986) has the molecular formula C21H21BrN2O5S and a molecular weight of 493.38 g/mol. Its IUPAC name is 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide
PubChem CID17170986
Molecular FormulaC21H21BrN2O5S
Molecular Weight493.38 g/mol
Exact Mass492.04
IUPAC Name3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1Br
InChIInChI=1S/C21H21BrN2O5S/c1-14(2)29-20-10-5-15(12-19(20)22)21(25)24-16-6-8-18(9-7-16)30(26,27)23-13-17-4-3-11-28-17/h3-12,14,23H,13H2,1-2H3,(H,24,25)
InChIKeyADEUZNQRPMKNET-UHFFFAOYSA-N
XLogP4.56
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17170977
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17170974
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639566
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide
CID 4849467
5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17170978
N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide
CID 17073799
N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide
CID 17355171

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide (CID 17170986) is 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is ADEUZNQRPMKNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O5S/c1-14(2)29-20-10-5-15(12-19(20)22)21(25)24-16-6-8-18(9-7-16)30(26,27)23-13-17-4-3-11-28-17/h3-12,14,23H,13H2,1-2H3,(H,24,25).
What are the key properties of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide?
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 493.38 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 17170986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).