2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide

C12H19N3O3S2 — CID 61453978

IUPAC2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide
SMILESCC(C)N(C)S(=O)(=O)Nc1ccccc1OCC(N)=S
InChIInChI=1S/C12H19N3O3S2/c1-9(2)15(3)20(16,17)14-10-6-4-5-7-11(10)18-8-12(13)19/h4-7,9,14H,8H2,1-3H3,(H2,13,19)
InChIKeySHESZYKEOVGSQF-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.35
Rot. Bonds7

About 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide

2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide (PubChem CID 61453978) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide.

Molecular Properties

Compound Name2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide
PubChem CID61453978
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide
SMILESCC(C)N(C)S(=O)(=O)Nc1ccccc1OCC(N)=S
InChIInChI=1S/C12H19N3O3S2/c1-9(2)15(3)20(16,17)14-10-6-4-5-7-11(10)18-8-12(13)19/h4-7,9,14H,8H2,1-3H3,(H2,13,19)
InChIKeySHESZYKEOVGSQF-UHFFFAOYSA-N
XLogP1.35
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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'}

Analyze 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide
CID 82842535
1-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-propan-2-ylurea
CID 43369664
2-[2-[(5-bromothiophen-2-yl)sulfonylamino]phenoxy]ethanethioamide
CID 43369773
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947668
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
CID 62536120
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455736
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide
CID 43175553
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide
CID 43369499
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 43175560
1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455735
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 43369535
N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 61062351

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide?
The IUPAC name of 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide (CID 61453978) is 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide.
What is the SMILES notation for 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide?
The canonical SMILES for 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide is CC(C)N(C)S(=O)(=O)Nc1ccccc1OCC(N)=S.
What is the InChIKey of 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide?
The InChIKey is SHESZYKEOVGSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-9(2)15(3)20(16,17)14-10-6-4-5-7-11(10)18-8-12(13)19/h4-7,9,14H,8H2,1-3H3,(H2,13,19).
What are the key properties of 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide?
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide has a molecular weight of 317.44 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide is sourced from PubChem (CID 61453978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).