1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea

C22H33N3O2S2Si — CID 46229465

IUPAC1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea
SMILESCC[Si](CC)(CC)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H33N3O2S2Si/c1-5-30(6-2,7-3)21-14-10-19(11-15-21)17-24-22(28)23-16-18-8-12-20(13-9-18)25-29(4,26)27/h8-15,25H,5-7,16-17H2,1-4H3,(H2,23,24,28)
InChIKeySSNZAKDSKQRETB-UHFFFAOYSA-N
MW463.75 g/mol
LogP3.94
Rot. Bonds10

About 1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea

1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea (PubChem CID 46229465) has the molecular formula C22H33N3O2S2Si and a molecular weight of 463.75 g/mol. Its IUPAC name is 1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea
PubChem CID46229465
Molecular FormulaC22H33N3O2S2Si
Molecular Weight463.75 g/mol
Exact Mass463.18
IUPAC Name1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea
SMILESCC[Si](CC)(CC)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H33N3O2S2Si/c1-5-30(6-2,7-3)21-14-10-19(11-15-21)17-24-22(28)23-16-18-8-12-20(13-9-18)25-29(4,26)27/h8-15,25H,5-7,16-17H2,1-4H3,(H2,23,24,28)
InChIKeySSNZAKDSKQRETB-UHFFFAOYSA-N
XLogP3.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.75
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(methanesulfonamido)phenyl]methyl]-3-[2-(1-methylpyrrol-2-yl)ethyl]thiourea
CID 59088066
1-[[4-(methanesulfonamido)phenyl]methyl]-3-[[4-(2-methoxy-3,3-dimethylbutoxy)phenyl]methyl]thiourea
CID 87702113
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 57203958
1-[(4-tert-butylphenyl)methyl]-3-[[2-fluoro-5-(methanesulfonamido)phenyl]methyl]thiourea
CID 59088078
N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
CID 67149033
3-(4-tert-butylphenyl)-N-[[4-(methanesulfonamido)phenyl]methyl]propanethioamide
CID 11855045
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
(Z)-3-(4-tert-butylphenyl)-2-fluoro-N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enethioamide
CID 11855312
1-[[4-tert-butyl-2-(2-methoxyethoxy)phenyl]methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea
CID 10277449
N-ethyl-2-[4-(methanesulfonamido)phenyl]acetamide
CID 60747826
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea?
The IUPAC name of 1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea (CID 46229465) is 1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea.
What is the SMILES notation for 1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea?
The canonical SMILES for 1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea is CC[Si](CC)(CC)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea?
The InChIKey is SSNZAKDSKQRETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2S2Si/c1-5-30(6-2,7-3)21-14-10-19(11-15-21)17-24-22(28)23-16-18-8-12-20(13-9-18)25-29(4,26)27/h8-15,25H,5-7,16-17H2,1-4H3,(H2,23,24,28).
What are the key properties of 1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea?
1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea has a molecular weight of 463.75 g/mol, XLogP of 3.94, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methanesulfonamido)phenyl]methyl]-3-[(4-triethylsilylphenyl)methyl]thiourea is sourced from PubChem (CID 46229465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).