3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide

C24H27N3O5S — CID 55430189

IUPAC3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C24H27N3O5S/c1-2-3-6-18-10-12-20(13-11-18)27-33(30,31)22-9-4-7-19(15-22)24(29)26-17-23(28)25-16-21-8-5-14-32-21/h4-5,7-15,27H,2-3,6,16-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyROQZVIQDBHFQRB-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.47
Rot. Bonds11

About 3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide

3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide (PubChem CID 55430189) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
PubChem CID55430189
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C24H27N3O5S/c1-2-3-6-18-10-12-20(13-11-18)27-33(30,31)22-9-4-7-19(15-22)24(29)26-17-23(28)25-16-21-8-5-14-32-21/h4-5,7-15,27H,2-3,6,16-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyROQZVIQDBHFQRB-UHFFFAOYSA-N
XLogP3.47
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064485
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 34238919
3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 55347238
3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 27258622
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 24504865
4-(benzenesulfonamido)-N-(furan-2-ylmethyl)benzamide
CID 2982615
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9080360
3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064483
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
3-(dipropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 26909549

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide (CID 55430189) is 3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide is CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of 3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The InChIKey is ROQZVIQDBHFQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-2-3-6-18-10-12-20(13-11-18)27-33(30,31)22-9-4-7-19(15-22)24(29)26-17-23(28)25-16-21-8-5-14-32-21/h4-5,7-15,27H,2-3,6,16-17H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide has a molecular weight of 469.56 g/mol, XLogP of 3.47, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 55430189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).