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

C22H23N3O4S2 — CID 19679035

IUPAC1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
SMILESCCOc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C22H23N3O4S2/c1-3-29-21-11-7-4-8-18(21)24-22(30)23-16-12-14-17(15-13-16)31(26,27)25-19-9-5-6-10-20(19)28-2/h4-15,25H,3H2,1-2H3,(H2,23,24,30)
InChIKeyKCGYAAXGIZPRJO-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.70
Rot. Bonds8

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

1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea (PubChem CID 19679035) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
PubChem CID19679035
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC Name1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
SMILESCCOc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C22H23N3O4S2/c1-3-29-21-11-7-4-8-18(21)24-22(30)23-16-12-14-17(15-13-16)31(26,27)25-19-9-5-6-10-20(19)28-2/h4-15,25H,3H2,1-2H3,(H2,23,24,30)
InChIKeyKCGYAAXGIZPRJO-UHFFFAOYSA-N
XLogP4.70
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea
CID 19678857
1-(4-butan-2-ylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679001
1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679043
1-(2,5-dimethylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679014
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea
CID 19678627
1-(4-ethoxyphenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]thiourea
CID 25039303
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
1-(3,4-dimethoxyphenyl)-3-(2-ethoxyphenyl)thiourea
CID 971987
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
1-(2-methoxyphenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 25046157

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea (CID 19679035) is 1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea is CCOc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
The InChIKey is KCGYAAXGIZPRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-3-29-21-11-7-4-8-18(21)24-22(30)23-16-12-14-17(15-13-16)31(26,27)25-19-9-5-6-10-20(19)28-2/h4-15,25H,3H2,1-2H3,(H2,23,24,30).
What are the key properties of 1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea?
1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea has a molecular weight of 457.58 g/mol, XLogP of 4.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea is sourced from PubChem (CID 19679035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).