2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide

C14H22N2O4S — CID 81175778

IUPAC2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide
SMILESCCOc1ccc(N)c(S(=O)(=O)CC(=O)NCC(C)C)c1
InChIInChI=1S/C14H22N2O4S/c1-4-20-11-5-6-12(15)13(7-11)21(18,19)9-14(17)16-8-10(2)3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyBMAGKZGEIISPEN-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.21
Rot. Bonds7

About 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide

2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide (PubChem CID 81175778) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide
PubChem CID81175778
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide
SMILESCCOc1ccc(N)c(S(=O)(=O)CC(=O)NCC(C)C)c1
InChIInChI=1S/C14H22N2O4S/c1-4-20-11-5-6-12(15)13(7-11)21(18,19)9-14(17)16-8-10(2)3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyBMAGKZGEIISPEN-UHFFFAOYSA-N
XLogP1.21
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide
CID 81175054
2-(2-amino-5-ethoxyphenyl)sulfonylacetamide
CID 81176156
4-ethoxy-2-(3-methylbutylsulfonyl)aniline
CID 81175786
2-(2-aminophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 61368377
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
4-ethoxy-2-(2-fluoroethylsulfonyl)aniline
CID 81176417
6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol
CID 107707390
4-ethoxy-2-(ethoxymethylsulfonyl)aniline
CID 81174679
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81176298
2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81187306
4-ethoxy-2-(4-methoxybutylsulfonyl)aniline
CID 104650980
4-ethoxy-2-[2-(trifluoromethoxy)ethylsulfonyl]aniline
CID 81174673

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide (CID 81175778) is 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide is CCOc1ccc(N)c(S(=O)(=O)CC(=O)NCC(C)C)c1.
What is the InChIKey of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide?
The InChIKey is BMAGKZGEIISPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-20-11-5-6-12(15)13(7-11)21(18,19)9-14(17)16-8-10(2)3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide?
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 81175778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).