1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea

C17H20N2O4S — CID 60603716

IUPAC1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccccc2CS(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O4S/c1-23-15-8-5-6-13(10-15)11-18-17(20)19-16-9-4-3-7-14(16)12-24(2,21)22/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyUIASXNKQCDOWGE-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.56
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea

1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea (PubChem CID 60603716) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea
PubChem CID60603716
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccccc2CS(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O4S/c1-23-15-8-5-6-13(10-15)11-18-17(20)19-16-9-4-3-7-14(16)12-24(2,21)22/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyUIASXNKQCDOWGE-UHFFFAOYSA-N
XLogP2.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 49119455
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 16608876
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 52594310
1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
CID 60603582
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828
1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 47034671

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea (CID 60603716) is 1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea is COc1cccc(CNC(=O)Nc2ccccc2CS(C)(=O)=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea?
The InChIKey is UIASXNKQCDOWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-15-8-5-6-13(10-15)11-18-17(20)19-16-9-4-3-7-14(16)12-24(2,21)22/h3-10H,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea?
1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea has a molecular weight of 348.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea is sourced from PubChem (CID 60603716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).