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

C17H22N4O3S — CID 86861276

IUPAC1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea
SMILESCC(NC(=O)N(C)C(C)c1ccccn1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H22N4O3S/c1-12(14-7-6-8-15(11-14)25(18,23)24)20-17(22)21(3)13(2)16-9-4-5-10-19-16/h4-13H,1-3H3,(H,20,22)(H2,18,23,24)
InChIKeyRUNUUCXVGNPESN-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.19
Rot. Bonds5

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

1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea (PubChem CID 86861276) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea
PubChem CID86861276
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea
SMILESCC(NC(=O)N(C)C(C)c1ccccn1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H22N4O3S/c1-12(14-7-6-8-15(11-14)25(18,23)24)20-17(22)21(3)13(2)16-9-4-5-10-19-16/h4-13H,1-3H3,(H,20,22)(H2,18,23,24)
InChIKeyRUNUUCXVGNPESN-UHFFFAOYSA-N
XLogP2.19
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 75833918
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 55541921
N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 60668579
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
CID 35943097
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide
CID 43226387
3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 96532415
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea (CID 86861276) is 1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea is CC(NC(=O)N(C)C(C)c1ccccn1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The InChIKey is RUNUUCXVGNPESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12(14-7-6-8-15(11-14)25(18,23)24)20-17(22)21(3)13(2)16-9-4-5-10-19-16/h4-13H,1-3H3,(H,20,22)(H2,18,23,24).
What are the key properties of 1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea?
1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea has a molecular weight of 362.46 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 86861276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).