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

C17H22N4O3S — CID 108989235

IUPAC1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCN(CCc1ccncc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H22N4O3S/c1-21(13-9-15-6-10-19-11-7-15)17(22)20-12-8-14-2-4-16(5-3-14)25(18,23)24/h2-7,10-11H,8-9,12-13H2,1H3,(H,20,22)(H2,18,23,24)
InChIKeyATBRMHCGJDEYNO-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.16
Rot. Bonds7

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

1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 108989235) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID108989235
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCN(CCc1ccncc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H22N4O3S/c1-21(13-9-15-6-10-19-11-7-15)17(22)20-12-8-14-2-4-16(5-3-14)25(18,23)24/h2-7,10-11H,8-9,12-13H2,1H3,(H,20,22)(H2,18,23,24)
InChIKeyATBRMHCGJDEYNO-UHFFFAOYSA-N
XLogP1.16
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 113217368
3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 108989264
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 95133816
4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
CID 35886705
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 109058007
(2S)-2-hydroxy-3-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 107838620
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
CID 90649211
3-[2-(4-bromophenoxy)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 112971297
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974290
3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea
CID 142727616

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 108989235) is 1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is CN(CCc1ccncc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is ATBRMHCGJDEYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-21(13-9-15-6-10-19-11-7-15)17(22)20-12-8-14-2-4-16(5-3-14)25(18,23)24/h2-7,10-11H,8-9,12-13H2,1H3,(H,20,22)(H2,18,23,24).
What are the key properties of 1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 362.46 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 108989235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).