N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide

C25H28N2O5S — CID 126394171

IUPACN-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C25H28N2O5S/c1-5-32-22-9-7-6-8-21(22)26-25(28)17-27(20-13-10-18(2)11-14-20)33(29,30)24-16-19(3)12-15-23(24)31-4/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyHTMJDPNTKZUQTN-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.54
Rot. Bonds9

About N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide

N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 126394171) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID126394171
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C25H28N2O5S/c1-5-32-22-9-7-6-8-21(22)26-25(28)17-27(20-13-10-18(2)11-14-20)33(29,30)24-16-19(3)12-15-23(24)31-4/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyHTMJDPNTKZUQTN-UHFFFAOYSA-N
XLogP4.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1098081
N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095185
N-(2,3-dimethylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 5135255
N-(2-ethoxyphenyl)-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)acetamide
CID 2087980
N-(2-ethoxyphenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30259956
N-(2,4-difluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126392822
N-(2-fluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126395488
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126395247
N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394431
N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 1372189
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 1349588

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide (CID 126394171) is N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide is CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is HTMJDPNTKZUQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-5-32-22-9-7-6-8-21(22)26-25(28)17-27(20-13-10-18(2)11-14-20)33(29,30)24-16-19(3)12-15-23(24)31-4/h6-16H,5,17H2,1-4H3,(H,26,28).
What are the key properties of N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 126394171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).