1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea

C19H26N4O4S — CID 55744571

IUPAC1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCC(C)Oc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C19H26N4O4S/c1-14(2)27-18-10-9-15(11-20-18)12-21-19(24)22-13-16-7-5-6-8-17(16)28(25,26)23(3)4/h5-11,14H,12-13H2,1-4H3,(H2,21,22,24)
InChIKeyBYOJXEVPVPIDFH-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.12
Rot. Bonds8

About 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea

1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea (PubChem CID 55744571) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
PubChem CID55744571
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCC(C)Oc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C19H26N4O4S/c1-14(2)27-18-10-9-15(11-20-18)12-21-19(24)22-13-16-7-5-6-8-17(16)28(25,26)23(3)4/h5-11,14H,12-13H2,1-4H3,(H2,21,22,24)
InChIKeyBYOJXEVPVPIDFH-UHFFFAOYSA-N
XLogP2.12
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
1-[[4-(dimethylamino)phenyl]methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41430913
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41181880
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55793643
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 51116943
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 42935570
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-pentylurea
CID 134001741
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 55747187
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea (CID 55744571) is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea is CC(C)Oc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The InChIKey is BYOJXEVPVPIDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-14(2)27-18-10-9-15(11-20-18)12-21-19(24)22-13-16-7-5-6-8-17(16)28(25,26)23(3)4/h5-11,14H,12-13H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea has a molecular weight of 406.51 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 55744571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).