3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea

C12H20N4O3S — CID 83109055

IUPAC3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)N(C)C)c(N)c1
InChIInChI=1S/C12H20N4O3S/c1-9-4-5-11(10(13)8-9)20(18,19)15-7-6-14-12(17)16(2)3/h4-5,8,15H,6-7,13H2,1-3H3,(H,14,17)
InChIKeyVXNPOIGPAXFSAT-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.13
Rot. Bonds5

About 3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea

3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea (PubChem CID 83109055) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
PubChem CID83109055
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)N(C)C)c(N)c1
InChIInChI=1S/C12H20N4O3S/c1-9-4-5-11(10(13)8-9)20(18,19)15-7-6-14-12(17)16(2)3/h4-5,8,15H,6-7,13H2,1-3H3,(H,14,17)
InChIKeyVXNPOIGPAXFSAT-UHFFFAOYSA-N
XLogP0.13
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea 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

3-[2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108138
2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
3-[2-[(2-amino-5-chlorophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108543
3-[2-[(3-amino-5-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 114380073
3-[2-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108751
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62636102
3-[2-[(5-amino-2-bromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108301
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 83108048
3-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 78953522
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
CID 43590960
3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83115602

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea (CID 83109055) is 3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea is Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)C)c(N)c1.
What is the InChIKey of 3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The InChIKey is VXNPOIGPAXFSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9-4-5-11(10(13)8-9)20(18,19)15-7-6-14-12(17)16(2)3/h4-5,8,15H,6-7,13H2,1-3H3,(H,14,17).
What are the key properties of 3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea?
3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea has a molecular weight of 300.38 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83109055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).