1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea

C18H23N3O3S — CID 86986671

IUPAC1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C18H23N3O3S/c1-21(2)25(23,24)17-12-6-11-16(14-17)20-18(22)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H2,19,20,22)
InChIKeyDUVFWCHSBLLHAS-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.69
Rot. Bonds7

About 1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea

1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea (PubChem CID 86986671) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea
PubChem CID86986671
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C18H23N3O3S/c1-21(2)25(23,24)17-12-6-11-16(14-17)20-18(22)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H2,19,20,22)
InChIKeyDUVFWCHSBLLHAS-UHFFFAOYSA-N
XLogP2.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 52592042
1-[3-(dimethylamino)propyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 4041337
N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide
CID 70284914
1-(3-methylsulfonylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]propyl]urea
CID 166182115
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122150681
1-[3-(dimethylsulfamoyl)phenyl]-3-(pentylcarbamothioylamino)thiourea
CID 8655058
3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid
CID 122078849
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
CID 51277442
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea (CID 86986671) is 1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea is CN(C)S(=O)(=O)c1cccc(NC(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea?
The InChIKey is DUVFWCHSBLLHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-21(2)25(23,24)17-12-6-11-16(14-17)20-18(22)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea?
1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea has a molecular weight of 361.47 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 86986671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).