4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide

C19H25BrN2O5S — CID 55606313

IUPAC4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)oc(C)c2Br)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C19H25BrN2O5S/c1-6-22(7-2)28(24,25)16-11-14(9-10-15(16)26-8-3)21-19(23)17-12(4)27-13(5)18(17)20/h9-11H,6-8H2,1-5H3,(H,21,23)
InChIKeyNNPGWDLPBBJMQZ-UHFFFAOYSA-N
MW473.39 g/mol
LogP4.34
Rot. Bonds8

About 4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide

4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55606313) has the molecular formula C19H25BrN2O5S and a molecular weight of 473.39 g/mol. Its IUPAC name is 4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55606313
Molecular FormulaC19H25BrN2O5S
Molecular Weight473.39 g/mol
Exact Mass472.07
IUPAC Name4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)oc(C)c2Br)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C19H25BrN2O5S/c1-6-22(7-2)28(24,25)16-11-14(9-10-15(16)26-8-3)21-19(23)17-12(4)27-13(5)18(17)20/h9-11H,6-8H2,1-5H3,(H,21,23)
InChIKeyNNPGWDLPBBJMQZ-UHFFFAOYSA-N
XLogP4.34
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
CID 26756004
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
ethyl 4-[[3-(diethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 17492838
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9224063
ethyl 5-[[3-(diethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42025091
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 112764541

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide (CID 55606313) is 4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide is CCOc1ccc(NC(=O)c2c(C)oc(C)c2Br)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is NNPGWDLPBBJMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O5S/c1-6-22(7-2)28(24,25)16-11-14(9-10-15(16)26-8-3)21-19(23)17-12(4)27-13(5)18(17)20/h9-11H,6-8H2,1-5H3,(H,21,23).
What are the key properties of 4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide?
4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 473.39 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55606313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).