N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

C19H20N4O5S — CID 137107408

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)/N=N/c1c(O)[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C19H20N4O5S/c1-12-8-9-16(28-2)15(10-12)23(29(3,26)27)11-17(24)21-22-18-13-6-4-5-7-14(13)20-19(18)25/h4-10,20,25H,11H2,1-3H3/b22-21+
InChIKeyRNTXHYORFMHGJJ-QURGRASLSA-N
MW416.46 g/mol
LogP3.27
Rot. Bonds6

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 137107408) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
PubChem CID137107408
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)/N=N/c1c(O)[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C19H20N4O5S/c1-12-8-9-16(28-2)15(10-12)23(29(3,26)27)11-17(24)21-22-18-13-6-4-5-7-14(13)20-19(18)25/h4-10,20,25H,11H2,1-3H3/b22-21+
InChIKeyRNTXHYORFMHGJJ-QURGRASLSA-N
XLogP3.27
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1280174
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 137107683
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137077873
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 137077901
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 137043554
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide
CID 135576558
N-ethyl-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 113155307
2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135645724
2-(N-(4-tert-butylphenyl)sulfonyl-4-chloroanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135414288
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
N-(2-bromophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1100120

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (CID 137107408) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is COc1ccc(C)cc1N(CC(=O)/N=N/c1c(O)[nH]c2ccccc12)S(C)(=O)=O.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is RNTXHYORFMHGJJ-QURGRASLSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-12-8-9-16(28-2)15(10-12)23(29(3,26)27)11-17(24)21-22-18-13-6-4-5-7-14(13)20-19(18)25/h4-10,20,25H,11H2,1-3H3/b22-21+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 416.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 137107408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).