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

C24H22N4O5S — CID 135461089

IUPAC2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C24H22N4O5S/c1-2-33-18-12-14-19(15-13-18)34(31,32)28(17-8-4-3-5-9-17)16-22(29)26-27-23-20-10-6-7-11-21(20)25-24(23)30/h3-15,25,30H,2,16H2,1H3/b27-26+
InChIKeySWSSHGSRPZMMDM-CYYJNZCTSA-N
MW478.53 g/mol
LogP4.78
Rot. Bonds8

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

2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 135461089) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID135461089
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C24H22N4O5S/c1-2-33-18-12-14-19(15-13-18)34(31,32)28(17-8-4-3-5-9-17)16-22(29)26-27-23-20-10-6-7-11-21(20)25-24(23)30/h3-15,25,30H,2,16H2,1H3/b27-26+
InChIKeySWSSHGSRPZMMDM-CYYJNZCTSA-N
XLogP4.78
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.78
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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Related Compounds

Oxindole-Based Inhibitor 30
CID 135434970
Oxindole-Based Inhibitor 31
CID 135434971
Oxindole-Based Inhibitor 32
CID 135434972
Oxindole-Based Inhibitor 45
CID 135434980
Glycine, N-[(4-ethoxyphenyl)sulfonyl]-N-(4-methylphenyl)-, (1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide (9CI)
CID 1103817
2-(4-chloro-N-[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135476004
Oxindole-Based Inhibitor 69
CID 135434996
Glycine, N-phenyl-N-(phenylsulfonyl)-, (1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide (9CI)
CID 1103932
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 135399794
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-naphthalen-1-ylsulfonylanilino)acetamide
CID 135414270
2-(4-chloro-N-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135414531
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135438362

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 135461089) is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is SWSSHGSRPZMMDM-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H22N4O5S/c1-2-33-18-12-14-19(15-13-18)34(31,32)28(17-8-4-3-5-9-17)16-22(29)26-27-23-20-10-6-7-11-21(20)25-24(23)30/h3-15,25,30H,2,16H2,1H3/b27-26+.
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 478.53 g/mol, XLogP of 4.78, 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)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135461089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).