2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide

C13H20N2O3S2 — CID 106261341

IUPAC2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)NCCc1ccccc1OC
InChIInChI=1S/C13H20N2O3S2/c1-3-12(13(14)19)20(16,17)15-9-8-10-6-4-5-7-11(10)18-2/h4-7,12,15H,3,8-9H2,1-2H3,(H2,14,19)
InChIKeyKNCWJERLYGGOBC-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.22
Rot. Bonds8

About 2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide

2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide (PubChem CID 106261341) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide
PubChem CID106261341
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)NCCc1ccccc1OC
InChIInChI=1S/C13H20N2O3S2/c1-3-12(13(14)19)20(16,17)15-9-8-10-6-4-5-7-11(10)18-2/h4-7,12,15H,3,8-9H2,1-2H3,(H2,14,19)
InChIKeyKNCWJERLYGGOBC-UHFFFAOYSA-N
XLogP1.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide 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-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 106261839
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 106261293
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 28514163
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106262399
4-[2-(2-methoxyphenyl)ethylamino]benzenecarbothioamide
CID 106261364
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 143860168
N-butan-2-yl-4-[2-(2-methoxyphenyl)ethylsulfamoyl]benzamide
CID 109059025
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128
N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide
CID 43957857

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide (CID 106261341) is 2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide is CCC(C(N)=S)S(=O)(=O)NCCc1ccccc1OC.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide?
The InChIKey is KNCWJERLYGGOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-3-12(13(14)19)20(16,17)15-9-8-10-6-4-5-7-11(10)18-2/h4-7,12,15H,3,8-9H2,1-2H3,(H2,14,19).
What are the key properties of 2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide?
2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide has a molecular weight of 316.45 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide is sourced from PubChem (CID 106261341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).