N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide

C26H30N2O4S — CID 1372189

IUPACN-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O4S/c1-5-32-25-9-7-6-8-24(25)27-26(29)18-28(22-14-12-21(13-15-22)19(2)3)33(30,31)23-16-10-20(4)11-17-23/h6-17,19H,5,18H2,1-4H3,(H,27,29)
InChIKeyUTUYOKUEQNJKNR-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.35
Rot. Bonds9

About N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide

N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide (PubChem CID 1372189) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
PubChem CID1372189
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O4S/c1-5-32-25-9-7-6-8-24(25)27-26(29)18-28(22-14-12-21(13-15-22)19(2)3)33(30,31)23-16-10-20(4)11-17-23/h6-17,19H,5,18H2,1-4H3,(H,27,29)
InChIKeyUTUYOKUEQNJKNR-UHFFFAOYSA-N
XLogP5.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-ethoxyphenyl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 1349588
2-[N-(benzenesulfonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 1095152
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171602
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210636
N-(2-ethoxyphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998705
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 43891721
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide
CID 126123006
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 30306819
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43902340
N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394171

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide (CID 1372189) is N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide is CCOc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The InChIKey is UTUYOKUEQNJKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-5-32-25-9-7-6-8-24(25)27-26(29)18-28(22-14-12-21(13-15-22)19(2)3)33(30,31)23-16-10-20(4)11-17-23/h6-17,19H,5,18H2,1-4H3,(H,27,29).
What are the key properties of N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide has a molecular weight of 466.60 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 1372189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).