3-[4-(methanesulfonamido)phenoxy]propanamide

C10H14N2O4S — CID 61062457

IUPAC3-[4-(methanesulfonamido)phenoxy]propanamide
SMILESCS(=O)(=O)Nc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C10H14N2O4S/c1-17(14,15)12-8-2-4-9(5-3-8)16-7-6-10(11)13/h2-5,12H,6-7H2,1H3,(H2,11,13)
InChIKeyQZDOXFKJWBDWIO-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.31
Rot. Bonds6

About 3-[4-(methanesulfonamido)phenoxy]propanamide

3-[4-(methanesulfonamido)phenoxy]propanamide (PubChem CID 61062457) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-[4-(methanesulfonamido)phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(methanesulfonamido)phenoxy]propanamide
PubChem CID61062457
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name3-[4-(methanesulfonamido)phenoxy]propanamide
SMILESCS(=O)(=O)Nc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C10H14N2O4S/c1-17(14,15)12-8-2-4-9(5-3-8)16-7-6-10(11)13/h2-5,12H,6-7H2,1H3,(H2,11,13)
InChIKeyQZDOXFKJWBDWIO-UHFFFAOYSA-N
XLogP0.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(chloromethylsulfonylamino)phenoxy]propanamide
CID 63666821
[[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea
CID 89489484
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide
CID 120705717
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
3-[4-(hexylamino)phenoxy]propanamide
CID 43676527
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide
CID 110169427
4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108540785
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methanesulfonamido)phenoxy]propanamide?
The IUPAC name of 3-[4-(methanesulfonamido)phenoxy]propanamide (CID 61062457) is 3-[4-(methanesulfonamido)phenoxy]propanamide.
What is the SMILES notation for 3-[4-(methanesulfonamido)phenoxy]propanamide?
The canonical SMILES for 3-[4-(methanesulfonamido)phenoxy]propanamide is CS(=O)(=O)Nc1ccc(OCCC(N)=O)cc1.
What is the InChIKey of 3-[4-(methanesulfonamido)phenoxy]propanamide?
The InChIKey is QZDOXFKJWBDWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-17(14,15)12-8-2-4-9(5-3-8)16-7-6-10(11)13/h2-5,12H,6-7H2,1H3,(H2,11,13).
What are the key properties of 3-[4-(methanesulfonamido)phenoxy]propanamide?
3-[4-(methanesulfonamido)phenoxy]propanamide has a molecular weight of 258.30 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methanesulfonamido)phenoxy]propanamide is sourced from PubChem (CID 61062457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).