2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide

C29H28N2O5S2 — CID 43891751

IUPAC2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C29H28N2O5S2/c1-3-35-24-15-11-23(12-16-24)31(38(33,34)28-19-17-27(37-2)18-20-28)21-29(32)30-22-9-13-26(14-10-22)36-25-7-5-4-6-8-25/h4-20H,3,21H2,1-2H3,(H,30,32)
InChIKeyKMFHSAFVGLNEIG-UHFFFAOYSA-N
MW548.69 g/mol
LogP6.43
Rot. Bonds11

About 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide

2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide (PubChem CID 43891751) has the molecular formula C29H28N2O5S2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
PubChem CID43891751
Molecular FormulaC29H28N2O5S2
Molecular Weight548.69 g/mol
Exact Mass548.14
IUPAC Name2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C29H28N2O5S2/c1-3-35-24-15-11-23(12-16-24)31(38(33,34)28-19-17-27(37-2)18-20-28)21-29(32)30-22-9-13-26(14-10-22)36-25-7-5-4-6-8-25/h4-20H,3,21H2,1-2H3,(H,30,32)
InChIKeyKMFHSAFVGLNEIG-UHFFFAOYSA-N
XLogP6.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30169662
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 126386472
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126268481
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-chlorophenyl)acetamide
CID 1343150
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide
CID 126134483
N-(4-ethoxyphenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylsulfanylbenzenesulfonamide
CID 53278646
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 126032972
ethyl 2-[[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 2890741
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 3555680
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 2271131

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide (CID 43891751) is 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide is CCOc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is KMFHSAFVGLNEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5S2/c1-3-35-24-15-11-23(12-16-24)31(38(33,34)28-19-17-27(37-2)18-20-28)21-29(32)30-22-9-13-26(14-10-22)36-25-7-5-4-6-8-25/h4-20H,3,21H2,1-2H3,(H,30,32).
What are the key properties of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide?
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 548.69 g/mol, XLogP of 6.43, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 43891751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).