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

C22H23N3O5S — CID 55617154

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C22H23N3O5S/c1-15(2)21(26)24-17-5-3-6-18(13-17)25-22(27)16-8-10-20(11-9-16)31(28,29)23-14-19-7-4-12-30-19/h3-13,15,23H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCSIKKRGOYNQTEV-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.60
Rot. Bonds8

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

4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 55617154) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID55617154
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C22H23N3O5S/c1-15(2)21(26)24-17-5-3-6-18(13-17)25-22(27)16-8-10-20(11-9-16)31(28,29)23-14-19-7-4-12-30-19/h3-13,15,23H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCSIKKRGOYNQTEV-UHFFFAOYSA-N
XLogP3.60
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55567977
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24584102
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
N-(2,3-dihydro-1H-inden-5-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 26864849
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
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
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 5147041
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17170974
2-(3-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 55342838

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide (CID 55617154) is 4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide is CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is CSIKKRGOYNQTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-15(2)21(26)24-17-5-3-6-18(13-17)25-22(27)16-8-10-20(11-9-16)31(28,29)23-14-19-7-4-12-30-19/h3-13,15,23H,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 441.51 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 55617154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).