1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea

C22H23N3O4S — CID 17379791

IUPAC1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-29-21-10-6-5-9-20(21)25-22(26)24-18-11-13-19(14-12-18)30(27,28)23-16-15-17-7-3-2-4-8-17/h2-14,23H,15-16H2,1H3,(H2,24,25,26)
InChIKeyRGLYIWIPRYMSGL-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.86
Rot. Bonds8

About 1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea

1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea (PubChem CID 17379791) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea
PubChem CID17379791
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-29-21-10-6-5-9-20(21)25-22(26)24-18-11-13-19(14-12-18)30(27,28)23-16-15-17-7-3-2-4-8-17/h2-14,23H,15-16H2,1H3,(H2,24,25,26)
InChIKeyRGLYIWIPRYMSGL-UHFFFAOYSA-N
XLogP3.86
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 9439467
2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
CID 5070664
1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 32545082
4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 57395389
ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate
CID 2188314
3-[4-(ethylsulfamoyl)phenyl]-N-(2-methoxyphenyl)propanamide
CID 2227902
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4943654
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea (CID 17379791) is 1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea is COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea?
The InChIKey is RGLYIWIPRYMSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-29-21-10-6-5-9-20(21)25-22(26)24-18-11-13-19(14-12-18)30(27,28)23-16-15-17-7-3-2-4-8-17/h2-14,23H,15-16H2,1H3,(H2,24,25,26).
What are the key properties of 1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea?
1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea has a molecular weight of 425.51 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea is sourced from PubChem (CID 17379791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).