1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea

C17H22N4O3S — CID 27869210

IUPAC1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea
SMILESCN(C)Cc1ccccc1CNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H22N4O3S/c1-21(2)12-14-6-4-3-5-13(14)11-19-17(22)20-15-7-9-16(10-8-15)25(18,23)24/h3-10H,11-12H2,1-2H3,(H2,18,23,24)(H2,19,20,22)
InChIKeyGSHNWFBFGUXCGK-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.72
Rot. Bonds6

About 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea

1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 27869210) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea
PubChem CID27869210
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea
SMILESCN(C)Cc1ccccc1CNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H22N4O3S/c1-21(2)12-14-6-4-3-5-13(14)11-19-17(22)20-15-7-9-16(10-8-15)25(18,23)24/h3-10H,11-12H2,1-2H3,(H2,18,23,24)(H2,19,20,22)
InChIKeyGSHNWFBFGUXCGK-UHFFFAOYSA-N
XLogP1.72
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoylamino]benzoyl]amino]propanoate
CID 55698348
2-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 80723230
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea
CID 47033294
1-[4-[butyl(methyl)sulfamoyl]phenyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 47081340
1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
CID 146027008
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 55351564
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46455661
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
CID 122565152
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
CID 24550322
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea (CID 27869210) is 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea is CN(C)Cc1ccccc1CNC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is GSHNWFBFGUXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-21(2)12-14-6-4-3-5-13(14)11-19-17(22)20-15-7-9-16(10-8-15)25(18,23)24/h3-10H,11-12H2,1-2H3,(H2,18,23,24)(H2,19,20,22).
What are the key properties of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea?
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 362.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27869210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).