2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide

C19H22N2O5S — CID 2695434

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-26-17-9-7-16(8-10-17)20-19(23)13-21(3)27(24,25)18-11-5-15(6-12-18)14(2)22/h5-12H,4,13H2,1-3H3,(H,20,23)
InChIKeyUJVVYGMVLWUOLG-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.55
Rot. Bonds8

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 2695434) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
PubChem CID2695434
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-26-17-9-7-16(8-10-17)20-19(23)13-21(3)27(24,25)18-11-5-15(6-12-18)14(2)22/h5-12H,4,13H2,1-3H3,(H,20,23)
InChIKeyUJVVYGMVLWUOLG-UHFFFAOYSA-N
XLogP2.55
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373124
ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373125
N-(4-butylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373137
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
CID 7919004
dimethyl 5-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45373145
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
CID 45373085
N-(4-acetamidophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 7937656
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 19798403
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
ethyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 2197414

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide (CID 2695434) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is UJVVYGMVLWUOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-26-17-9-7-16(8-10-17)20-19(23)13-21(3)27(24,25)18-11-5-15(6-12-18)14(2)22/h5-12H,4,13H2,1-3H3,(H,20,23).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 2695434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).