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

C19H25N3O4S — CID 9266277

IUPAC1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C19H25N3O4S/c1-20-27(24,25)14-17-9-5-4-8-16(17)12-21-19(23)22(2)13-15-7-6-10-18(11-15)26-3/h4-11,20H,12-14H2,1-3H3,(H,21,23)
InChIKeySIMYCTWQVYOZAD-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.09
Rot. Bonds8

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

1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea (PubChem CID 9266277) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea
PubChem CID9266277
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C19H25N3O4S/c1-20-27(24,25)14-17-9-5-4-8-16(17)12-21-19(23)22(2)13-15-7-6-10-18(11-15)26-3/h4-11,20H,12-14H2,1-3H3,(H,21,23)
InChIKeySIMYCTWQVYOZAD-UHFFFAOYSA-N
XLogP2.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
CID 46594171
3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 134006466
2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33117583
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[2-[(S)-phenylsulfinyl]ethyl]urea
CID 95347885
3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 27517905
1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
CID 86916303
3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 35628426
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea (CID 9266277) is 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea is CNS(=O)(=O)Cc1ccccc1CNC(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea?
The InChIKey is SIMYCTWQVYOZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-20-27(24,25)14-17-9-5-4-8-16(17)12-21-19(23)22(2)13-15-7-6-10-18(11-15)26-3/h4-11,20H,12-14H2,1-3H3,(H,21,23).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea?
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea has a molecular weight of 391.49 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 9266277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).