2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide

C11H16N2O3S2 — CID 55014069

IUPAC2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide
SMILESCOCCS(=O)(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C11H16N2O3S2/c1-16-7-8-18(14,15)13-10(11(12)17)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H2,12,17)
InChIKeyABUSGFNAIAJPGE-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.58
Rot. Bonds7

About 2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide

2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide (PubChem CID 55014069) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide
PubChem CID55014069
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide
SMILESCOCCS(=O)(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C11H16N2O3S2/c1-16-7-8-18(14,15)13-10(11(12)17)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H2,12,17)
InChIKeyABUSGFNAIAJPGE-UHFFFAOYSA-N
XLogP0.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.58
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

2-(ethylsulfonylamino)-2-phenylethanethioamide
CID 61121905
2-methoxy-N-(1-phenylethyl)ethanesulfonamide
CID 71683981
N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
CID 80506787
2-(2-methoxyethylsulfonylamino)-3-phenylpropanoic acid
CID 55009884
2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
CID 114808176
(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide
CID 61454526
N-(2-amino-1-phenylethyl)-3-methoxypropane-1-sulfonamide
CID 63290200
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-phenylacetic acid
CID 103862426
2-[(3-methylphenyl)sulfonylamino]-2-phenylethanethioamide
CID 61123888
2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
(2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid
CID 114286000

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide?
The IUPAC name of 2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide (CID 55014069) is 2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide.
What is the SMILES notation for 2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide?
The canonical SMILES for 2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide is COCCS(=O)(=O)NC(C(N)=S)c1ccccc1.
What is the InChIKey of 2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide?
The InChIKey is ABUSGFNAIAJPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-16-7-8-18(14,15)13-10(11(12)17)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H2,12,17).
What are the key properties of 2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide?
2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide has a molecular weight of 288.39 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide is sourced from PubChem (CID 55014069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).