1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea

C19H19N3O3S2 — CID 17374507

IUPAC1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea
SMILESCCOc1ccccc1NC(=S)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O3S2/c1-2-25-18-10-6-5-9-17(18)20-19(26)21-22-27(23,24)16-12-11-14-7-3-4-8-15(14)13-16/h3-13,22H,2H2,1H3,(H2,20,21,26)
InChIKeyWSIRNJDOQXHZCJ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.42
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea

1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea (PubChem CID 17374507) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea
PubChem CID17374507
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea
SMILESCCOc1ccccc1NC(=S)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O3S2/c1-2-25-18-10-6-5-9-17(18)20-19(26)21-22-27(23,24)16-12-11-14-7-3-4-8-15(14)13-16/h3-13,22H,2H2,1H3,(H2,20,21,26)
InChIKeyWSIRNJDOQXHZCJ-UHFFFAOYSA-N
XLogP3.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.42
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

1-(2-ethoxyphenyl)-3-(naphthalene-2-carbonylamino)urea
CID 24818766
1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea
CID 19678857
1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679035
2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 8614803
1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea
CID 19678089
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
N-(2-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112998822
N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769058
[(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea
CID 65214109
1-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-ethylthiourea
CID 8683228
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea
CID 53488862

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea (CID 17374507) is 1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea is CCOc1ccccc1NC(=S)NNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea?
The InChIKey is WSIRNJDOQXHZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-2-25-18-10-6-5-9-17(18)20-19(26)21-22-27(23,24)16-12-11-14-7-3-4-8-15(14)13-16/h3-13,22H,2H2,1H3,(H2,20,21,26).
What are the key properties of 1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea?
1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea has a molecular weight of 401.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)thiourea is sourced from PubChem (CID 17374507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).