2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide

C14H22N2O4S — CID 81176298

IUPAC2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCCOc1ccc(N)c(S(=O)(=O)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O4S/c1-5-20-11-6-7-12(15)13(8-11)21(18,19)10(4)14(17)16-9(2)3/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyWWEQWFYWNIOOLD-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.35
Rot. Bonds6

About 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide

2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide (PubChem CID 81176298) 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-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide
PubChem CID81176298
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCCOc1ccc(N)c(S(=O)(=O)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O4S/c1-5-20-11-6-7-12(15)13(8-11)21(18,19)10(4)14(17)16-9(2)3/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyWWEQWFYWNIOOLD-UHFFFAOYSA-N
XLogP1.35
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.35
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

4-ethoxy-2-(1-phenylethylsulfonyl)aniline
CID 81175040
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175778
2-(2-amino-5-ethoxyphenyl)sulfonylacetamide
CID 81176156
4-ethoxy-2-(3-methylbutylsulfonyl)aniline
CID 81175786
2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81184759
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide
CID 81175054
2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81201309
4-ethoxy-2-(ethoxymethylsulfonyl)aniline
CID 81174679
4-ethoxy-2-(2-fluoroethylsulfonyl)aniline
CID 81176417
2-cycloheptylsulfonyl-4-ethoxyaniline
CID 82935829
2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 81182888
2-butan-2-ylsulfonyl-4-methoxyaniline
CID 81207556

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide (CID 81176298) is 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide is CCOc1ccc(N)c(S(=O)(=O)C(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide?
The InChIKey is WWEQWFYWNIOOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-20-11-6-7-12(15)13(8-11)21(18,19)10(4)14(17)16-9(2)3/h6-10H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide?
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 1.35, 6 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-propan-2-ylpropanamide is sourced from PubChem (CID 81176298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).