1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea

C19H19N5O4S — CID 66610200

IUPAC1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ncccc1NS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H19N5O4S/c1-28-18-17(5-3-11-21-18)24-29(26,27)16-8-6-15(7-9-16)23-19(25)22-13-14-4-2-10-20-12-14/h2-12,24H,13H2,1H3,(H2,22,23,25)
InChIKeyVJAAJVMJCZBBTK-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.61
Rot. Bonds7

About 1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea

1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 66610200) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID66610200
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ncccc1NS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H19N5O4S/c1-28-18-17(5-3-11-21-18)24-29(26,27)16-8-6-15(7-9-16)23-19(25)22-13-14-4-2-10-20-12-14/h2-12,24H,13H2,1H3,(H2,22,23,25)
InChIKeyVJAAJVMJCZBBTK-UHFFFAOYSA-N
XLogP2.61
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea (CID 66610200) is 1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea is COc1ncccc1NS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is VJAAJVMJCZBBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-28-18-17(5-3-11-21-18)24-29(26,27)16-8-6-15(7-9-16)23-19(25)22-13-14-4-2-10-20-12-14/h2-12,24H,13H2,1H3,(H2,22,23,25).
What are the key properties of 1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 413.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxy-3-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 66610200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).