1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea

C26H23N3O4S — CID 135223135

IUPAC1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCOc1cccc(-c2ccccc2S(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C26H23N3O4S/c1-33-22-6-4-5-20(17-22)24-7-2-3-8-25(24)34(31,32)23-11-9-21(10-12-23)29-26(30)28-18-19-13-15-27-16-14-19/h2-17H,18H2,1H3,(H2,28,29,30)
InChIKeyOGRXAMIQKAMOMG-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.91
Rot. Bonds7

About 1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea

1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135223135) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is 1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135223135
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC Name1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCOc1cccc(-c2ccccc2S(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C26H23N3O4S/c1-33-22-6-4-5-20(17-22)24-7-2-3-8-25(24)34(31,32)23-11-9-21(10-12-23)29-26(30)28-18-19-13-15-27-16-14-19/h2-17H,18H2,1H3,(H2,28,29,30)
InChIKeyOGRXAMIQKAMOMG-UHFFFAOYSA-N
XLogP4.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223127
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222523
1-[4-[(3-methoxyphenyl)sulfonylmethyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 157293862
1-[4-[2-(3-chlorophenyl)phenyl]sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223227
1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135231159
1-[4-(benzenesulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824686
1-[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66611293
1-[4-[2-(3-cyanophenyl)phenyl]sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135222536
1-[4-(3-iodophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222928
1-[4-[2-[2-(3-methoxyphenyl)phenyl]ethoxy]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 123644948
1-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-(4-methylphenyl)urea
CID 7261153
1-[4-[(4-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222588

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea (CID 135223135) is 1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea is COc1cccc(-c2ccccc2S(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)c1.
What is the InChIKey of 1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is OGRXAMIQKAMOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-33-22-6-4-5-20(17-22)24-7-2-3-8-25(24)34(31,32)23-11-9-21(10-12-23)29-26(30)28-18-19-13-15-27-16-14-19/h2-17H,18H2,1H3,(H2,28,29,30).
What are the key properties of 1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 473.55 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135223135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).