2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C25H24N4O5S — CID 1103817

IUPAC2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24N4O5S/c1-3-34-19-12-14-20(15-13-19)35(32,33)29(18-10-8-17(2)9-11-18)16-23(30)27-28-24-21-6-4-5-7-22(21)26-25(24)31/h4-15,26,31H,3,16H2,1-2H3/b28-27+
InChIKeyIKDZSVIWYMEFDQ-BYYHNAKLSA-N
MW492.56 g/mol
LogP5.09
Rot. Bonds8

About 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 1103817) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID1103817
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24N4O5S/c1-3-34-19-12-14-20(15-13-19)35(32,33)29(18-10-8-17(2)9-11-18)16-23(30)27-28-24-21-6-4-5-7-22(21)26-25(24)31/h4-15,26,31H,3,16H2,1-2H3/b28-27+
InChIKeyIKDZSVIWYMEFDQ-BYYHNAKLSA-N
XLogP5.09
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.56
LogP ≤ 55.09
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 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 1103817) is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is IKDZSVIWYMEFDQ-BYYHNAKLSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-3-34-19-12-14-20(15-13-19)35(32,33)29(18-10-8-17(2)9-11-18)16-23(30)27-28-24-21-6-4-5-7-22(21)26-25(24)31/h4-15,26,31H,3,16H2,1-2H3/b28-27+.
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 492.56 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 1103817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).