1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea

C16H19N3O5S — CID 46445537

IUPAC1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea
SMILESCOc1ccccc1C(O)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19N3O5S/c1-24-15-5-3-2-4-13(15)14(20)10-18-16(21)19-11-6-8-12(9-7-11)25(17,22)23/h2-9,14,20H,10H2,1H3,(H2,17,22,23)(H2,18,19,21)
InChIKeyDOERIYVCAAGIEZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.20
Rot. Bonds6

About 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea

1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 46445537) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea
PubChem CID46445537
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea
SMILESCOc1ccccc1C(O)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19N3O5S/c1-24-15-5-3-2-4-13(15)14(20)10-18-16(21)19-11-6-8-12(9-7-11)25(17,22)23/h2-9,14,20H,10H2,1H3,(H2,17,22,23)(H2,18,19,21)
InChIKeyDOERIYVCAAGIEZ-UHFFFAOYSA-N
XLogP1.20
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea
CID 42958119
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea
CID 112824759
1-(3,5-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944301
1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 108867832
1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 38283759
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 47033484
2,6-dimethoxy-N-(4-sulfamoylphenyl)benzamide
CID 954656
2-[[(4-sulfamoylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219240
3-(2-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 24640601
1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
CID 108894310
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598283

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea (CID 46445537) is 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea is COc1ccccc1C(O)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is DOERIYVCAAGIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-24-15-5-3-2-4-13(15)14(20)10-18-16(21)19-11-6-8-12(9-7-11)25(17,22)23/h2-9,14,20H,10H2,1H3,(H2,17,22,23)(H2,18,19,21).
What are the key properties of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea?
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 365.41 g/mol, XLogP of 1.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 46445537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).