2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide

C20H26N2O4S — CID 100763497

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
SMILESCCOc1ccccc1CCCNC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-3-26-19-14-8-7-10-17(19)11-9-15-21-20(23)16-22(2)27(24,25)18-12-5-4-6-13-18/h4-8,10,12-14H,3,9,11,15-16H2,1-2H3,(H,21,23)
InChIKeyAOUZUWDKIMRXOA-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.45
Rot. Bonds10

About 2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide (PubChem CID 100763497) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
PubChem CID100763497
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
SMILESCCOc1ccccc1CCCNC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-3-26-19-14-8-7-10-17(19)11-9-15-21-20(23)16-22(2)27(24,25)18-12-5-4-6-13-18/h4-8,10,12-14H,3,9,11,15-16H2,1-2H3,(H,21,23)
InChIKeyAOUZUWDKIMRXOA-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30203079
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55957400
2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
CID 119429589
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30175236
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30200922
2-[benzenesulfonyl(methyl)amino]-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 94627376
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 43893372
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30205214
N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55666194
N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220284
N-[3-(2-ethoxyphenyl)propyl]-2-(4-methoxyphenyl)acetamide
CID 92673607

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide (CID 100763497) is 2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide is CCOc1ccccc1CCCNC(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide?
The InChIKey is AOUZUWDKIMRXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-26-19-14-8-7-10-17(19)11-9-15-21-20(23)16-22(2)27(24,25)18-12-5-4-6-13-18/h4-8,10,12-14H,3,9,11,15-16H2,1-2H3,(H,21,23).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide is sourced from PubChem (CID 100763497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).