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

C20H20N4O4S — CID 135223127

IUPAC1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCOc1cccc(NS(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C20H20N4O4S/c1-28-18-4-2-3-17(13-18)24-29(26,27)19-7-5-16(6-8-19)23-20(25)22-14-15-9-11-21-12-10-15/h2-13,24H,14H2,1H3,(H2,22,23,25)
InChIKeyDOKMQDOOXAVGIJ-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.21
Rot. Bonds7

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

1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135223127) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135223127
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCOc1cccc(NS(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C20H20N4O4S/c1-28-18-4-2-3-17(13-18)24-29(26,27)19-7-5-16(6-8-19)23-20(25)22-14-15-9-11-21-12-10-15/h2-13,24H,14H2,1H3,(H2,22,23,25)
InChIKeyDOKMQDOOXAVGIJ-UHFFFAOYSA-N
XLogP3.21
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222523
1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222969
1-[4-[(3-methoxyphenyl)sulfonylmethyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 157293862
1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223135
N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060995
1-[4-[(4-methoxy-2-methylphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610845
1-[4-[(3-methylsulfonylphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610832
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222648
1-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223030
1-[4-[(4-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222588

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea (CID 135223127) is 1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea is COc1cccc(NS(=O)(=O)c2ccc(NC(=O)NCc3ccncc3)cc2)c1.
What is the InChIKey of 1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is DOKMQDOOXAVGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-28-18-4-2-3-17(13-18)24-29(26,27)19-7-5-16(6-8-19)23-20(25)22-14-15-9-11-21-12-10-15/h2-13,24H,14H2,1H3,(H2,22,23,25).
What are the key properties of 1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 412.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135223127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).