1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea

C24H27N3O3S — CID 52592042

IUPAC1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H27N3O3S/c1-27(2)31(29,30)22-15-9-14-21(18-22)26-24(28)25-17-16-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,18,23H,16-17H2,1-2H3,(H2,25,26,28)
InChIKeyADWXRUOPZKTYFB-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.28
Rot. Bonds8

About 1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea

1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea (PubChem CID 52592042) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea
PubChem CID52592042
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H27N3O3S/c1-27(2)31(29,30)22-15-9-14-21(18-22)26-24(28)25-17-16-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,18,23H,16-17H2,1-2H3,(H2,25,26,28)
InChIKeyADWXRUOPZKTYFB-UHFFFAOYSA-N
XLogP4.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea
CID 86986671
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316
1-benzhydryl-3-[3-(dimethylsulfamoyl)phenyl]-1-methylthiourea
CID 42994753
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122150681
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 8758830
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea
CID 52502640
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433
1-[3-(dimethylamino)propyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 4041337
1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842053
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methylpropyl)thiourea
CID 8626970
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea?
The IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea (CID 52592042) is 1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea.
What is the SMILES notation for 1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea?
The canonical SMILES for 1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea is CN(C)S(=O)(=O)c1cccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea?
The InChIKey is ADWXRUOPZKTYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-27(2)31(29,30)22-15-9-14-21(18-22)26-24(28)25-17-16-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,18,23H,16-17H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea?
1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea has a molecular weight of 437.57 g/mol, XLogP of 4.28, 8 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-(3,3-diphenylpropyl)urea is sourced from PubChem (CID 52592042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).