N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide

C24H38N2O2SSi — CID 102282051

IUPACN-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide
SMILESC#CC/N=C(\NS(=O)(=O)c1ccc(C)cc1)C(CC=C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H38N2O2SSi/c1-10-12-23(30(18(3)4,19(5)6)20(7)8)24(25-17-11-2)26-29(27,28)22-15-13-21(9)14-16-22/h2,10,13-16,18-20,23H,1,12,17H2,3-9H3,(H,25,26)
InChIKeyGRNLTXKTKXWCED-UHFFFAOYSA-N
MW446.73 g/mol
LogP5.93
Rot. Bonds10

About N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide

N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide (PubChem CID 102282051) has the molecular formula C24H38N2O2SSi and a molecular weight of 446.73 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide
PubChem CID102282051
Molecular FormulaC24H38N2O2SSi
Molecular Weight446.73 g/mol
Exact Mass446.24
IUPAC NameN-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide
SMILESC#CC/N=C(\NS(=O)(=O)c1ccc(C)cc1)C(CC=C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H38N2O2SSi/c1-10-12-23(30(18(3)4,19(5)6)20(7)8)24(25-17-11-2)26-29(27,28)22-15-13-21(9)14-16-22/h2,10,13-16,18-20,23H,1,12,17H2,3-9H3,(H,25,26)
InChIKeyGRNLTXKTKXWCED-UHFFFAOYSA-N
XLogP5.93
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.73
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(4-methylphenyl)sulfonyl-N'-prop-2-ynylcarbamimidothioate
CID 134123429
4-methyl-N-[(2S)-pent-4-yn-2-yl]benzenesulfonamide
CID 86604885
4-methylbenzenesulfonic acid;(2R)-pent-4-en-2-ol
CID 71381106
3-(4-methylphenyl)sulfonyl-1,1-bis(prop-2-enyl)urea
CID 4628428
S-prop-2-enyl N-(4-methylphenyl)sulfonylcarbamothioate
CID 88768451
4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide
CID 68854810
N-[(1S,2R)-2-(hydroxymethyl)-1-phenylpent-4-enyl]-4-methylbenzenesulfonamide
CID 139048254
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
N-but-3-yn-2-yl-4-methylbenzenesulfonamide
CID 101246920
4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide
CID 166436835
(2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide
CID 94782590
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide (CID 102282051) is N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide is C#CC/N=C(\NS(=O)(=O)c1ccc(C)cc1)C(CC=C)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide?
The InChIKey is GRNLTXKTKXWCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2SSi/c1-10-12-23(30(18(3)4,19(5)6)20(7)8)24(25-17-11-2)26-29(27,28)22-15-13-21(9)14-16-22/h2,10,13-16,18-20,23H,1,12,17H2,3-9H3,(H,25,26).
What are the key properties of N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide?
N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide has a molecular weight of 446.73 g/mol, XLogP of 5.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-N'-prop-2-ynyl-2-tri(propan-2-yl)silylpent-4-enimidamide is sourced from PubChem (CID 102282051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).