N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

C17H18N4O5S — CID 25181823

IUPACN-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
SMILESCNS(=O)(=O)c1ccc2c(c1)/C(=C\c1[nH]c(C)c(C(=O)NO)c1C)C(=O)N2
InChIInChI=1S/C17H18N4O5S/c1-8-14(19-9(2)15(8)17(23)21-24)7-12-11-6-10(27(25,26)18-3)4-5-13(11)20-16(12)22/h4-7,18-19,24H,1-3H3,(H,20,22)(H,21,23)/b12-7+
InChIKeyGUJYKBPJNMMAJM-KPKJPENVSA-N
MW390.42 g/mol
LogP1.15
Rot. Bonds4

About N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 25181823) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
PubChem CID25181823
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC NameN-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
SMILESCNS(=O)(=O)c1ccc2c(c1)/C(=C\c1[nH]c(C)c(C(=O)NO)c1C)C(=O)N2
InChIInChI=1S/C17H18N4O5S/c1-8-14(19-9(2)15(8)17(23)21-24)7-12-11-6-10(27(25,26)18-3)4-5-13(11)20-16(12)22/h4-7,18-19,24H,1-3H3,(H,20,22)(H,21,23)/b12-7+
InChIKeyGUJYKBPJNMMAJM-KPKJPENVSA-N
XLogP1.15
TPSA140.39 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 51.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 163900307
(3Z)-3-[[3,5-dimethyl-4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 89027682
N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 59069608
2,4-dimethyl-5-[(Z)-[2-oxo-5-(pyridin-3-ylsulfamoyl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
CID 68792717
5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide
CID 162432107
(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 69344265
5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[3-[3-[[5-[(Z)-[5-[di(propan-2-yl)sulfamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propyl-methylamino]propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 25181686
3-[(5-bromo-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57169992
(3Z)-N-methyl-3-[(3-nitro-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 58779576
3-[(2,4-dihydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 57257956
5-[[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide
CID 72509317
2-[[5-[(Z)-[5-[[4-(carboxymethyl)phenyl]methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl-diethylazanium chloride
CID 158956677

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (CID 25181823) is N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is CNS(=O)(=O)c1ccc2c(c1)/C(=C\c1[nH]c(C)c(C(=O)NO)c1C)C(=O)N2.
What is the InChIKey of N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is GUJYKBPJNMMAJM-KPKJPENVSA-N. The full InChI is InChI=1S/C17H18N4O5S/c1-8-14(19-9(2)15(8)17(23)21-24)7-12-11-6-10(27(25,26)18-3)4-5-13(11)20-16(12)22/h4-7,18-19,24H,1-3H3,(H,20,22)(H,21,23)/b12-7+.
What are the key properties of N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,4-dimethyl-5-[(E)-[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 25181823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).