3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea

C21H29N3O3S — CID 142727616

IUPAC3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea
SMILESCN(CCCc1ccccc1)C(=O)NCCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H29N3O3S/c1-23(2)28(26,27)20-13-11-19(12-14-20)15-16-22-21(25)24(3)17-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14H,7,10,15-17H2,1-3H3,(H,22,25)
InChIKeyZSTFPLOWIFGCDP-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.75
Rot. Bonds9

About 3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea

3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea (PubChem CID 142727616) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea.

Molecular Properties

Compound Name3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea
PubChem CID142727616
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea
SMILESCN(CCCc1ccccc1)C(=O)NCCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H29N3O3S/c1-23(2)28(26,27)20-13-11-19(12-14-20)15-16-22-21(25)24(3)17-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14H,7,10,15-17H2,1-3H3,(H,22,25)
InChIKeyZSTFPLOWIFGCDP-UHFFFAOYSA-N
XLogP2.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
CID 142727630
2-[4-(dimethylsulfamoyl)phenyl]-N-(2-phenylethyl)acetamide
CID 110674498
1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea
CID 118398387
4-(dimethylsulfamoyl)-N-ethyl-N-(2-phenylethyl)benzamide
CID 55588043
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134253
4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252
4-[2-[[methyl(pentyl)carbamoyl]amino]ethyl]benzoic acid
CID 61198157
1,1,3-tris(2-phenylethyl)urea
CID 123287811
N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 2468773
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 4797803
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989235
3-[2-(4-ethylphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122002816

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea?
The IUPAC name of 3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea (CID 142727616) is 3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea.
What is the SMILES notation for 3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea?
The canonical SMILES for 3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea is CN(CCCc1ccccc1)C(=O)NCCc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea?
The InChIKey is ZSTFPLOWIFGCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-23(2)28(26,27)20-13-11-19(12-14-20)15-16-22-21(25)24(3)17-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14H,7,10,15-17H2,1-3H3,(H,22,25).
What are the key properties of 3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea?
3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea has a molecular weight of 403.55 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea is sourced from PubChem (CID 142727616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).