2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide

C13H21N3O4S — CID 106240983

IUPAC2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
SMILESCCCNc1ccc(S(=O)(=O)NCCOCC(N)=O)cc1
InChIInChI=1S/C13H21N3O4S/c1-2-7-15-11-3-5-12(6-4-11)21(18,19)16-8-9-20-10-13(14)17/h3-6,15-16H,2,7-10H2,1H3,(H2,14,17)
InChIKeyAUSKGGSZVKYLLV-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.29
Rot. Bonds10

About 2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide

2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide (PubChem CID 106240983) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
PubChem CID106240983
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
SMILESCCCNc1ccc(S(=O)(=O)NCCOCC(N)=O)cc1
InChIInChI=1S/C13H21N3O4S/c1-2-7-15-11-3-5-12(6-4-11)21(18,19)16-8-9-20-10-13(14)17/h3-6,15-16H,2,7-10H2,1H3,(H2,14,17)
InChIKeyAUSKGGSZVKYLLV-UHFFFAOYSA-N
XLogP0.29
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[4-(methylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240991
2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide
CID 106239804
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide
CID 114468845
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233792
2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
CID 79457379
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide
CID 106240994
N-[2-(2-methylprop-2-enoxy)ethyl]-4-propylsulfonylaniline
CID 114468837
2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
CID 79469314

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide (CID 106240983) is 2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide is CCCNc1ccc(S(=O)(=O)NCCOCC(N)=O)cc1.
What is the InChIKey of 2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide?
The InChIKey is AUSKGGSZVKYLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-2-7-15-11-3-5-12(6-4-11)21(18,19)16-8-9-20-10-13(14)17/h3-6,15-16H,2,7-10H2,1H3,(H2,14,17).
What are the key properties of 2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide?
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide has a molecular weight of 315.40 g/mol, XLogP of 0.29, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 106240983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).