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

C21H21BrN2O5S — CID 17170977

IUPAC3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1Br
InChIInChI=1S/C21H21BrN2O5S/c1-2-11-29-20-10-5-15(13-19(20)22)21(25)24-16-6-8-18(9-7-16)30(26,27)23-14-17-4-3-12-28-17/h3-10,12-13,23H,2,11,14H2,1H3,(H,24,25)
InChIKeyKDPUEBRQEWWDMB-UHFFFAOYSA-N
MW493.38 g/mol
LogP4.56
Rot. Bonds9

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

3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide (PubChem CID 17170977) 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-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
PubChem CID17170977
Molecular FormulaC21H21BrN2O5S
Molecular Weight493.38 g/mol
Exact Mass492.04
IUPAC Name3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1Br
InChIInChI=1S/C21H21BrN2O5S/c1-2-11-29-20-10-5-15(13-19(20)22)21(25)24-16-6-8-18(9-7-16)30(26,27)23-14-17-4-3-12-28-17/h3-10,12-13,23H,2,11,14H2,1H3,(H,24,25)
InChIKeyKDPUEBRQEWWDMB-UHFFFAOYSA-N
XLogP4.56
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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-propan-2-yloxybenzamide
CID 17170986
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17342662
5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17170978
N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide
CID 17073799
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate
CID 35143678
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17170974
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
CID 17342731

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide (CID 17170977) is 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide?
The InChIKey is KDPUEBRQEWWDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O5S/c1-2-11-29-20-10-5-15(13-19(20)22)21(25)24-16-6-8-18(9-7-16)30(26,27)23-14-17-4-3-12-28-17/h3-10,12-13,23H,2,11,14H2,1H3,(H,24,25).
What are the key properties of 3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide?
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide has a molecular weight of 493.38 g/mol, XLogP of 4.56, 9 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-propoxybenzamide is sourced from PubChem (CID 17170977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).