1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea

C24H26N4O2S2 — CID 4298451

IUPAC1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=S)NN=C(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C24H26N4O2S2/c1-28(2)32(29,30)23-15-9-14-21(18-23)25-24(31)27-26-22(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-15,18H,16-17H2,1-2H3,(H2,25,27,31)
InChIKeyBBJBMMUNRSMUPB-UHFFFAOYSA-N
MW466.63 g/mol
LogP4.06
Rot. Bonds8

About 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea

1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea (PubChem CID 4298451) has the molecular formula C24H26N4O2S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea
PubChem CID4298451
Molecular FormulaC24H26N4O2S2
Molecular Weight466.63 g/mol
Exact Mass466.15
IUPAC Name1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=S)NN=C(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C24H26N4O2S2/c1-28(2)32(29,30)23-15-9-14-21(18-23)25-24(31)27-26-22(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-15,18H,16-17H2,1-2H3,(H2,25,27,31)
InChIKeyBBJBMMUNRSMUPB-UHFFFAOYSA-N
XLogP4.06
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylsulfamoyl)phenyl]-3-[(E)-2,2-diphenylethylideneamino]thiourea
CID 9606483
1-(1-Cyclohex-3-enylmethylideneamino)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 9643280
1-[3-(dimethylsulfamoyl)phenyl]-3-[(E)-2-phenylpropylideneamino]thiourea
CID 9645220
1-(1,3-Diphenylpropan-2-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 4424444
1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-(2-phenylethyl)thiourea
CID 4545169
1-[(E)-1-[4-[methyl(phenyl)sulfamoyl]phenyl]ethylideneamino]-3-propylthiourea
CID 5466445
N-Methyl-N-phenyl-4-(N-((propylamino)carbothioyl)ethanehydrazonoyl)benzenesulfonamide
CID 5469682
1-[3-(dimethylsulfamoyl)phenyl]-3-[(E)-(4-fluorophenyl)methylideneamino]thiourea
CID 9665322
1-[3-(Dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)thiourea
CID 5087579
1-[3-(Dimethylsulfamoyl)phenyl]-3-(2-phenylethyl)thiourea
CID 8625893
1-Benzhydryl-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 42993026
1-[3-(Dimethylsulfamoyl)phenyl]-3-(2,2-diphenylethyl)thiourea
CID 53245603

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea?
The IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea (CID 4298451) is 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea.
What is the SMILES notation for 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea?
The canonical SMILES for 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea is CN(C)S(=O)(=O)c1cccc(NC(=S)NN=C(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea?
The InChIKey is BBJBMMUNRSMUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S2/c1-28(2)32(29,30)23-15-9-14-21(18-23)25-24(31)27-26-22(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-15,18H,16-17H2,1-2H3,(H2,25,27,31).
What are the key properties of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea?
1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea has a molecular weight of 466.63 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,3-diphenylpropan-2-ylideneamino)thiourea is sourced from PubChem (CID 4298451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).