N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide

C19H23NO2S2 — CID 129078852

IUPACN-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCc1cccc(CNS(=O)C(C)(C)C)c1Sc1ccccc1C=O
InChIInChI=1S/C19H23NO2S2/c1-14-8-7-10-15(12-20-24(22)19(2,3)4)18(14)23-17-11-6-5-9-16(17)13-21/h5-11,13,20H,12H2,1-4H3
InChIKeyFJKASKAPDJSEHS-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.51
Rot. Bonds6

About N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide

N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide (PubChem CID 129078852) has the molecular formula C19H23NO2S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide
PubChem CID129078852
Molecular FormulaC19H23NO2S2
Molecular Weight361.53 g/mol
Exact Mass361.12
IUPAC NameN-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCc1cccc(CNS(=O)C(C)(C)C)c1Sc1ccccc1C=O
InChIInChI=1S/C19H23NO2S2/c1-14-8-7-10-15(12-20-24(22)19(2,3)4)18(14)23-17-11-6-5-9-16(17)13-21/h5-11,13,20H,12H2,1-4H3
InChIKeyFJKASKAPDJSEHS-UHFFFAOYSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide (CID 129078852) is N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide is Cc1cccc(CNS(=O)C(C)(C)C)c1Sc1ccccc1C=O.
What is the InChIKey of N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is FJKASKAPDJSEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S2/c1-14-8-7-10-15(12-20-24(22)19(2,3)4)18(14)23-17-11-6-5-9-16(17)13-21/h5-11,13,20H,12H2,1-4H3.
What are the key properties of N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide?
N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 361.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-formylphenyl)sulfanyl-3-methylphenyl]methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 129078852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).