N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C21H19N3O6S — CID 24602660

IUPACN'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NNC(=O)c3ccc(COc4ccccc4)o3)ccc21
InChIInChI=1S/C21H19N3O6S/c1-24-18-9-8-17(11-14(18)12-20(24)25)31(27,28)23-22-21(26)19-10-7-16(30-19)13-29-15-5-3-2-4-6-15/h2-11,23H,12-13H2,1H3,(H,22,26)
InChIKeyWYDGPTZENYAIGJ-UHFFFAOYSA-N
MW441.47 g/mol
LogP2.00
Rot. Bonds7

About N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 24602660) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID24602660
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC NameN'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NNC(=O)c3ccc(COc4ccccc4)o3)ccc21
InChIInChI=1S/C21H19N3O6S/c1-24-18-9-8-17(11-14(18)12-20(24)25)31(27,28)23-22-21(26)19-10-7-16(30-19)13-29-15-5-3-2-4-6-15/h2-11,23H,12-13H2,1H3,(H,22,26)
InChIKeyWYDGPTZENYAIGJ-UHFFFAOYSA-N
XLogP2.00
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 24602616
N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26488487
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
CID 3163725
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24607659
1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide
CID 110292520
1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
CID 36873362
N-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110751697

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 24602660) is N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide is CN1C(=O)Cc2cc(S(=O)(=O)NNC(=O)c3ccc(COc4ccccc4)o3)ccc21.
What is the InChIKey of N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is WYDGPTZENYAIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S/c1-24-18-9-8-17(11-14(18)12-20(24)25)31(27,28)23-22-21(26)19-10-7-16(30-19)13-29-15-5-3-2-4-6-15/h2-11,23H,12-13H2,1H3,(H,22,26).
What are the key properties of N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 441.47 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 24602660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).