[(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea

C10H15N3O3S2 — CID 65214109

IUPAC[(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea
SMILESCCOc1ccc(S(=O)(=O)NNC(N)=S)cc1C
InChIInChI=1S/C10H15N3O3S2/c1-3-16-9-5-4-8(6-7(9)2)18(14,15)13-12-10(11)17/h4-6,13H,3H2,1-2H3,(H3,11,12,17)
InChIKeyOQGCGYHECCBCPO-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.42
Rot. Bonds5

About [(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea

[(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea (PubChem CID 65214109) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea.

Molecular Properties

Compound Name[(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea
PubChem CID65214109
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name[(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea
SMILESCCOc1ccc(S(=O)(=O)NNC(N)=S)cc1C
InChIInChI=1S/C10H15N3O3S2/c1-3-16-9-5-4-8(6-7(9)2)18(14,15)13-12-10(11)17/h4-6,13H,3H2,1-2H3,(H3,11,12,17)
InChIKeyOQGCGYHECCBCPO-UHFFFAOYSA-N
XLogP0.42
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
5-[(carbamothioylamino)sulfamoyl]-2-methylbenzamide
CID 65214372
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanoic acid
CID 6462452
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
CID 26970116
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
N-(2,3-dihydroxy-2-methylpropyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 66169279
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 9055901
4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
CID 37478664
ethyl N-[(4-bromo-3-methylphenyl)sulfonylamino]carbamate
CID 2697001

Frequently Asked Questions

What is the IUPAC name of [(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea?
The IUPAC name of [(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea (CID 65214109) is [(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea.
What is the SMILES notation for [(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea?
The canonical SMILES for [(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea is CCOc1ccc(S(=O)(=O)NNC(N)=S)cc1C.
What is the InChIKey of [(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea?
The InChIKey is OQGCGYHECCBCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-3-16-9-5-4-8(6-7(9)2)18(14,15)13-12-10(11)17/h4-6,13H,3H2,1-2H3,(H3,11,12,17).
What are the key properties of [(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea?
[(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea has a molecular weight of 289.38 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea is sourced from PubChem (CID 65214109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).