1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea

C15H25N3O3S2 — CID 8683228

IUPAC1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea
SMILESCCNC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OCC
InChIInChI=1S/C15H25N3O3S2/c1-5-16-15(22)17-13-11-12(9-10-14(13)21-8-4)23(19,20)18(6-2)7-3/h9-11H,5-8H2,1-4H3,(H2,16,17,22)
InChIKeyMUGNHAOXKNCWNR-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.42
Rot. Bonds8

About 1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea

1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea (PubChem CID 8683228) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea.

Molecular Properties

Compound Name1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea
PubChem CID8683228
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC Name1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea
SMILESCCNC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OCC
InChIInChI=1S/C15H25N3O3S2/c1-5-16-15(22)17-13-11-12(9-10-14(13)21-8-4)23(19,20)18(6-2)7-3/h9-11H,5-8H2,1-4H3,(H2,16,17,22)
InChIKeyMUGNHAOXKNCWNR-UHFFFAOYSA-N
XLogP2.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.42
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

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide
CID 26891804
2-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamothioylamino]ethyl-dimethylazanium
CID 8617163
1-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(2-phenylethyl)thiourea
CID 7939337
4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55384187
2-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]acetamide
CID 8501669
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911264
trans-[2-[5-(diethylsulfamoyl)-2-ethoxyanilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230478
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683535

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea?
The IUPAC name of 1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea (CID 8683228) is 1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea.
What is the SMILES notation for 1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea?
The canonical SMILES for 1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea is CCNC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OCC.
What is the InChIKey of 1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea?
The InChIKey is MUGNHAOXKNCWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-5-16-15(22)17-13-11-12(9-10-14(13)21-8-4)23(19,20)18(6-2)7-3/h9-11H,5-8H2,1-4H3,(H2,16,17,22).
What are the key properties of 1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea?
1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea has a molecular weight of 359.52 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea is sourced from PubChem (CID 8683228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).