1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea

C17H21N3O4S2 — CID 19679043

IUPAC1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
SMILESCOCCNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C17H21N3O4S2/c1-23-12-11-18-17(25)19-13-7-9-14(10-8-13)26(21,22)20-15-5-3-4-6-16(15)24-2/h3-10,20H,11-12H2,1-2H3,(H2,18,19,25)
InChIKeyWGCYJPHLCMVOQZ-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.43
Rot. Bonds8

About 1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea

1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea (PubChem CID 19679043) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
PubChem CID19679043
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
SMILESCOCCNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C17H21N3O4S2/c1-23-12-11-18-17(25)19-13-7-9-14(10-8-13)26(21,22)20-15-5-3-4-6-16(15)24-2/h3-10,20H,11-12H2,1-2H3,(H2,18,19,25)
InChIKeyWGCYJPHLCMVOQZ-UHFFFAOYSA-N
XLogP2.43
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678993
1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679035
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-methoxyethyl)thiourea
CID 19678582
1-(4-butan-2-ylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679001
1-(2,5-dimethylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679014
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea
CID 19680553
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea
CID 19678627
4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 30890199
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190
1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
CID 1295236

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea (CID 19679043) is 1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea is COCCNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The InChIKey is WGCYJPHLCMVOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-23-12-11-18-17(25)19-13-7-9-14(10-8-13)26(21,22)20-15-5-3-4-6-16(15)24-2/h3-10,20H,11-12H2,1-2H3,(H2,18,19,25).
What are the key properties of 1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea has a molecular weight of 395.51 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea is sourced from PubChem (CID 19679043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).