N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide

C26H26N4O5S — CID 135461099

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide
SMILESCCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H26N4O5S/c1-3-16-35-20-12-14-21(15-13-20)36(33,34)30(19-10-8-18(2)9-11-19)17-24(31)28-29-25-22-6-4-5-7-23(22)27-26(25)32/h4-15,27,32H,3,16-17H2,1-2H3/b29-28+
InChIKeyWZSZNEUNDWHWJA-ZQHSETAFSA-N
MW506.58 g/mol
LogP5.48
Rot. Bonds9

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide (PubChem CID 135461099) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide
PubChem CID135461099
Molecular FormulaC26H26N4O5S
Molecular Weight506.58 g/mol
Exact Mass506.16
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide
SMILESCCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H26N4O5S/c1-3-16-35-20-12-14-21(15-13-20)36(33,34)30(19-10-8-18(2)9-11-19)17-24(31)28-29-25-22-6-4-5-7-23(22)27-26(25)32/h4-15,27,32H,3,16-17H2,1-2H3/b29-28+
InChIKeyWZSZNEUNDWHWJA-ZQHSETAFSA-N
XLogP5.48
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.58
LogP ≤ 55.48
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide (CID 135461099) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide is CCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is WZSZNEUNDWHWJA-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-3-16-35-20-12-14-21(15-13-20)36(33,34)30(19-10-8-18(2)9-11-19)17-24(31)28-29-25-22-6-4-5-7-23(22)27-26(25)32/h4-15,27,32H,3,16-17H2,1-2H3/b29-28+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 506.58 g/mol, XLogP of 5.48, 9 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-(4-methyl-N-(4-propoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 135461099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).