5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide

C20H19N3O7S — CID 46671837

IUPAC5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C20H19N3O7S/c1-13-4-6-17(31(28,29)22-12-16-3-2-8-30-16)10-18(13)20(25)21-11-14-9-15(23(26)27)5-7-19(14)24/h2-10,22,24H,11-12H2,1H3,(H,21,25)
InChIKeyWGZWRYLMXOWKBR-UHFFFAOYSA-N
MW445.45 g/mol
LogP2.61
Rot. Bonds8

About 5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide

5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide (PubChem CID 46671837) has the molecular formula C20H19N3O7S and a molecular weight of 445.45 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide
PubChem CID46671837
Molecular FormulaC20H19N3O7S
Molecular Weight445.45 g/mol
Exact Mass445.09
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C20H19N3O7S/c1-13-4-6-17(31(28,29)22-12-16-3-2-8-30-16)10-18(13)20(25)21-11-14-9-15(23(26)27)5-7-19(14)24/h2-10,22,24H,11-12H2,1H3,(H,21,25)
InChIKeyWGZWRYLMXOWKBR-UHFFFAOYSA-N
XLogP2.61
TPSA151.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 55347552
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 78863657
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56544048
methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
CID 55349906
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 134034036
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55506799

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide (CID 46671837) is 5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide?
The InChIKey is WGZWRYLMXOWKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O7S/c1-13-4-6-17(31(28,29)22-12-16-3-2-8-30-16)10-18(13)20(25)21-11-14-9-15(23(26)27)5-7-19(14)24/h2-10,22,24H,11-12H2,1H3,(H,21,25).
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide?
5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide has a molecular weight of 445.45 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 46671837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).