(2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide

C13H20N2O5S — CID 94799409

IUPAC(2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide
SMILESCCOCCOc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1
InChIInChI=1S/C13H20N2O5S/c1-3-19-8-9-20-11-4-6-12(7-5-11)21(17,18)15-10(2)13(14)16/h4-7,10,15H,3,8-9H2,1-2H3,(H2,14,16)/t10-/m1/s1
InChIKeyTUMVMZYVMLWLEG-SNVBAGLBSA-N
MW316.38 g/mol
LogP0.25
Rot. Bonds9

About (2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide

(2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 94799409) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is (2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide
PubChem CID94799409
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name(2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide
SMILESCCOCCOc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1
InChIInChI=1S/C13H20N2O5S/c1-3-19-8-9-20-11-4-6-12(7-5-11)21(17,18)15-10(2)13(14)16/h4-7,10,15H,3,8-9H2,1-2H3,(H2,14,16)/t10-/m1/s1
InChIKeyTUMVMZYVMLWLEG-SNVBAGLBSA-N
XLogP0.25
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119983396
N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119986985
2-(4-chlorophenoxy)ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8844031
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
(2S)-2-[(4-sulfamoylphenyl)sulfonylamino]propanamide
CID 94501214
2-(4-methylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55323838
4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
CID 20595012
N-(2-amino-2-ethylbutyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119990079
methyl 2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]butanoate
CID 71858268
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
(2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide
CID 87400365
N-[3-(aminomethyl)pentan-3-yl]-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119981483

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide (CID 94799409) is (2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide is CCOCCOc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1.
What is the InChIKey of (2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is TUMVMZYVMLWLEG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-3-19-8-9-20-11-4-6-12(7-5-11)21(17,18)15-10(2)13(14)16/h4-7,10,15H,3,8-9H2,1-2H3,(H2,14,16)/t10-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide?
(2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 316.38 g/mol, XLogP of 0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 94799409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).