1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea

C19H18N4O4S — CID 11632684

IUPAC1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1
InChIInChI=1S/C19H18N4O4S/c20-28(25,26)16-10-8-15(9-11-16)22-19(24)23-18-17(7-4-12-21-18)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,20,25,26)(H2,21,22,23,24)
InChIKeyYBZHDQYLQLICSJ-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.95
Rot. Bonds6

About 1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea

1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 11632684) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea
PubChem CID11632684
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1
InChIInChI=1S/C19H18N4O4S/c20-28(25,26)16-10-8-15(9-11-16)22-19(24)23-18-17(7-4-12-21-18)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,20,25,26)(H2,21,22,23,24)
InChIKeyYBZHDQYLQLICSJ-UHFFFAOYSA-N
XLogP2.95
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
4-{[4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxypyridin-2-yl]amino}benzenesulfonamide
CID 25192275
4-({4-[(2,6-Dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
CID 25192277
Pyridoimidazolone, 29b
CID 42625325
1-(3-Benzyloxypyridin-2-yl)-3-(3-chlorophenyl)urea
CID 4128827
N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178
1-[(1R,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-3-[5-(4-sulfamoylphenoxy)-2-pyridinyl]urea
CID 118715063
1-(4-Ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
CID 2811862
3-[3-(Benzyloxy)pyridin-2-yl]-1-(4-nitrophenyl)urea
CID 4401642
3-[3-(Benzyloxy)pyridin-2-yl]-1-[3-(trifluoromethyl)phenyl]urea
CID 5020377
1-(3-Benzyloxy-2-pyridyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 11567780
1-(3-Benzyloxy-2-pyridyl)-3-(3-nitrophenyl)urea
CID 11631957

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea (CID 11632684) is 1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1.
What is the InChIKey of 1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is YBZHDQYLQLICSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c20-28(25,26)16-10-8-15(9-11-16)22-19(24)23-18-17(7-4-12-21-18)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,20,25,26)(H2,21,22,23,24).
What are the key properties of 1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea?
1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 398.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxy-2-pyridinyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 11632684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).