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

C17H21N3O4S — CID 110674272

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESCOc1ccccc1CCNC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H21N3O4S/c1-24-16-5-3-2-4-14(16)10-11-19-17(21)20-12-13-6-8-15(9-7-13)25(18,22)23/h2-9H,10-12H2,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyFCFRMESAYSVYDD-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.38
Rot. Bonds7

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

1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea (PubChem CID 110674272) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
PubChem CID110674272
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESCOc1ccccc1CCNC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H21N3O4S/c1-24-16-5-3-2-4-14(16)10-11-19-17(21)20-12-13-6-8-15(9-7-13)25(18,22)23/h2-9H,10-12H2,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyFCFRMESAYSVYDD-UHFFFAOYSA-N
XLogP1.38
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108883825
3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 22108283
1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide
CID 74227150
N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 44995797
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108901185
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea (CID 110674272) is 1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea is COc1ccccc1CCNC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
The InChIKey is FCFRMESAYSVYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-24-16-5-3-2-4-14(16)10-11-19-17(21)20-12-13-6-8-15(9-7-13)25(18,22)23/h2-9H,10-12H2,1H3,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea?
1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea has a molecular weight of 363.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 110674272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).