5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide

C19H25N3O5S — CID 9080458

IUPAC5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C19H25N3O5S/c1-4-22(5-2)28(25,26)16-9-8-14(3)17(11-16)19(24)21-13-18(23)20-12-15-7-6-10-27-15/h6-11H,4-5,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyZZKZVWDQQWDPSR-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.66
Rot. Bonds9

About 5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide

5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 9080458) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide
PubChem CID9080458
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C19H25N3O5S/c1-4-22(5-2)28(25,26)16-9-8-14(3)17(11-16)19(24)21-13-18(23)20-12-15-7-6-10-27-15/h6-11H,4-5,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyZZKZVWDQQWDPSR-UHFFFAOYSA-N
XLogP1.66
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 34238919
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24549162
5-(diethylsulfamoyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731409
4-(dimethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118985
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
2-[benzenesulfonyl(ethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3163582
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881
6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4096895
5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383
5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
CID 87043361

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide (CID 9080458) is 5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)NCc2ccco2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is ZZKZVWDQQWDPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-4-22(5-2)28(25,26)16-9-8-14(3)17(11-16)19(24)21-13-18(23)20-12-15-7-6-10-27-15/h6-11H,4-5,12-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide?
5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 407.49 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 9080458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).