1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea

C19H25N3O4S — CID 55683756

IUPAC1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)c1cccc(CNC(=O)NC(C)c2cc(C)ccc2OC)c1
InChIInChI=1S/C19H25N3O4S/c1-13-8-9-18(26-4)17(10-13)14(2)22-19(23)21-12-15-6-5-7-16(11-15)27(24,25)20-3/h5-11,14,20H,12H2,1-4H3,(H2,21,22,23)
InChIKeySQLUQNOUIJEAIL-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.47
Rot. Bonds7

About 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea

1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea (PubChem CID 55683756) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
PubChem CID55683756
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)c1cccc(CNC(=O)NC(C)c2cc(C)ccc2OC)c1
InChIInChI=1S/C19H25N3O4S/c1-13-8-9-18(26-4)17(10-13)14(2)22-19(23)21-12-15-6-5-7-16(11-15)27(24,25)20-3/h5-11,14,20H,12H2,1-4H3,(H2,21,22,23)
InChIKeySQLUQNOUIJEAIL-UHFFFAOYSA-N
XLogP2.47
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122017293
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 60570260
1-[1-(2,5-dimethylphenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 17460810
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 41277485
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108867649
2-methoxy-5-[(3-methylphenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 53283069
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 34637912
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 38330248
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 95187109
2-[3-[[[N-[1-(2-methoxy-5-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111985039

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea?
The IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea (CID 55683756) is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea?
The canonical SMILES for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea is CNS(=O)(=O)c1cccc(CNC(=O)NC(C)c2cc(C)ccc2OC)c1.
What is the InChIKey of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea?
The InChIKey is SQLUQNOUIJEAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13-8-9-18(26-4)17(10-13)14(2)22-19(23)21-12-15-6-5-7-16(11-15)27(24,25)20-3/h5-11,14,20H,12H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea?
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea has a molecular weight of 391.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea is sourced from PubChem (CID 55683756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).