2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea

C11H18N4O3S2 — CID 83116775

IUPAC2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea
SMILESNC(=O)NCCNS(=O)(=O)CCSc1ccccc1N
InChIInChI=1S/C11H18N4O3S2/c12-9-3-1-2-4-10(9)19-7-8-20(17,18)15-6-5-14-11(13)16/h1-4,15H,5-8,12H2,(H3,13,14,16)
InChIKeyOXRWHAYLHQHKQV-UHFFFAOYSA-N
MW318.42 g/mol
LogP-0.05
Rot. Bonds8

About 2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea

2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea (PubChem CID 83116775) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea
PubChem CID83116775
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea
SMILESNC(=O)NCCNS(=O)(=O)CCSc1ccccc1N
InChIInChI=1S/C11H18N4O3S2/c12-9-3-1-2-4-10(9)19-7-8-20(17,18)15-6-5-14-11(13)16/h1-4,15H,5-8,12H2,(H3,13,14,16)
InChIKeyOXRWHAYLHQHKQV-UHFFFAOYSA-N
XLogP-0.05
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea 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-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide
CID 64927625
2-(2-aminophenyl)sulfanyl-N-(2-methylprop-2-enyl)ethanesulfonamide
CID 114615068
2-(2-aminophenyl)sulfanyl-N-(3-methylbut-2-enyl)ethanesulfonamide
CID 106180578
2-(2-aminophenyl)sulfanyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanesulfonamide
CID 106391968
2-(2-aminophenyl)sulfanyl-N-(3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 104827317
2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide
CID 116786165
2-(2-chloroethylsulfonylamino)ethylurea
CID 107652346
2-(2-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872921
2-(2-aminophenyl)sulfanyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanesulfonamide
CID 106022293
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
2-(2-aminophenyl)sulfanyl-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
CID 116786253
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea?
The IUPAC name of 2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea (CID 83116775) is 2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea.
What is the SMILES notation for 2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea?
The canonical SMILES for 2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea is NC(=O)NCCNS(=O)(=O)CCSc1ccccc1N.
What is the InChIKey of 2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea?
The InChIKey is OXRWHAYLHQHKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c12-9-3-1-2-4-10(9)19-7-8-20(17,18)15-6-5-14-11(13)16/h1-4,15H,5-8,12H2,(H3,13,14,16).
What are the key properties of 2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea?
2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea has a molecular weight of 318.42 g/mol, XLogP of -0.05, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)sulfanylethylsulfonylamino]ethylurea is sourced from PubChem (CID 83116775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).