2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide

C25H28N2O5S — CID 45373757

IUPAC2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C
InChIInChI=1S/C25H28N2O5S/c1-4-31-24-15-14-23(16-19(24)2)33(29,30)27(3)17-25(28)26-21-10-12-22(13-11-21)32-18-20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyOGJMVDJJGXOWTN-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.23
Rot. Bonds10

About 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 45373757) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID45373757
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C
InChIInChI=1S/C25H28N2O5S/c1-4-31-24-15-14-23(16-19(24)2)33(29,30)27(3)17-25(28)26-21-10-12-22(13-11-21)32-18-20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3,(H,26,28)
InChIKeyOGJMVDJJGXOWTN-UHFFFAOYSA-N
XLogP4.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 41446708
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92917363
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3330810
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373125
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 41446698
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51343828

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide (CID 45373757) is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C.
What is the InChIKey of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is OGJMVDJJGXOWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-4-31-24-15-14-23(16-19(24)2)33(29,30)27(3)17-25(28)26-21-10-12-22(13-11-21)32-18-20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3,(H,26,28).
What are the key properties of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 45373757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).