4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide

C21H22N2O4S — CID 109060492

IUPAC4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H22N2O4S/c1-2-23(16-17-7-4-3-5-8-17)28(25,26)20-12-10-18(11-13-20)21(24)22-15-19-9-6-14-27-19/h3-14H,2,15-16H2,1H3,(H,22,24)
InChIKeyBKRGMSRYOCSKPP-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.42
Rot. Bonds8

About 4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide

4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 109060492) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID109060492
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H22N2O4S/c1-2-23(16-17-7-4-3-5-8-17)28(25,26)20-12-10-18(11-13-20)21(24)22-15-19-9-6-14-27-19/h3-14H,2,15-16H2,1H3,(H,22,24)
InChIKeyBKRGMSRYOCSKPP-UHFFFAOYSA-N
XLogP3.42
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
2-[benzenesulfonyl(ethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3163582
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
4-(dimethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118985
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881
N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109060496
3-(dipropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 26909549
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (CID 109060492) is 4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is BKRGMSRYOCSKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-2-23(16-17-7-4-3-5-8-17)28(25,26)20-12-10-18(11-13-20)21(24)22-15-19-9-6-14-27-19/h3-14H,2,15-16H2,1H3,(H,22,24).
What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?
4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 398.48 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 109060492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).