N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide

C12H19N3O4S — CID 120705717

IUPACN-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H19N3O4S/c1-13-9-12(16)14-7-8-19-11-5-3-10(4-6-11)15-20(2,17)18/h3-6,13,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyAGTSCJIBBIFMPJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.23
Rot. Bonds8

About N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide

N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide (PubChem CID 120705717) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide
PubChem CID120705717
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H19N3O4S/c1-13-9-12(16)14-7-8-19-11-5-3-10(4-6-11)15-20(2,17)18/h3-6,13,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyAGTSCJIBBIFMPJ-UHFFFAOYSA-N
XLogP-0.23
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.23
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

N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108540785
4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108540772
N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735550
N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119723419
2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005350
[[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea
CID 89489484
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide (CID 120705717) is N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide is CNCC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide?
The InChIKey is AGTSCJIBBIFMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-13-9-12(16)14-7-8-19-11-5-3-10(4-6-11)15-20(2,17)18/h3-6,13,15H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide?
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide has a molecular weight of 301.37 g/mol, XLogP of -0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 120705717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).