2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide

C12H19N3O3S2 — CID 43369739

IUPAC2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide
SMILESCCN(CC)S(=O)(=O)Nc1cccc(OCC(N)=S)c1
InChIInChI=1S/C12H19N3O3S2/c1-3-15(4-2)20(16,17)14-10-6-5-7-11(8-10)18-9-12(13)19/h5-8,14H,3-4,9H2,1-2H3,(H2,13,19)
InChIKeyKKDGZFMIIMDJCI-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.35
Rot. Bonds8

About 2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide

2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide (PubChem CID 43369739) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide.

Molecular Properties

Compound Name2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide
PubChem CID43369739
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide
SMILESCCN(CC)S(=O)(=O)Nc1cccc(OCC(N)=S)c1
InChIInChI=1S/C12H19N3O3S2/c1-3-15(4-2)20(16,17)14-10-6-5-7-11(8-10)18-9-12(13)19/h5-8,14H,3-4,9H2,1-2H3,(H2,13,19)
InChIKeyKKDGZFMIIMDJCI-UHFFFAOYSA-N
XLogP1.35
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-3-(diethylsulfamoylamino)benzene
CID 28783219
2-[3-(sulfamoylamino)phenoxy]acetamide
CID 112573308
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide
CID 43369412
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
CID 61058722
1-cyano-3-(diethylsulfamoylamino)benzene
CID 28785061
2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid
CID 43712925
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide
CID 43369436
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79158405
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide
CID 76988854
ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride
CID 69351950
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide?
The IUPAC name of 2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide (CID 43369739) is 2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide.
What is the SMILES notation for 2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide?
The canonical SMILES for 2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide is CCN(CC)S(=O)(=O)Nc1cccc(OCC(N)=S)c1.
What is the InChIKey of 2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide?
The InChIKey is KKDGZFMIIMDJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-3-15(4-2)20(16,17)14-10-6-5-7-11(8-10)18-9-12(13)19/h5-8,14H,3-4,9H2,1-2H3,(H2,13,19).
What are the key properties of 2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide?
2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide has a molecular weight of 317.44 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide is sourced from PubChem (CID 43369739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).