2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide

C19H25NO2S2 — CID 87669232

IUPAC2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1c(C)cc(C)cc1C)C(S)c1ccccc1
InChIInChI=1S/C19H25NO2S2/c1-5-17(18(23)16-9-7-6-8-10-16)20-24(21,22)19-14(3)11-13(2)12-15(19)4/h6-12,17-18,20,23H,5H2,1-4H3
InChIKeyFHFDKXRXBCLWGM-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.34
Rot. Bonds6

About 2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide

2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide (PubChem CID 87669232) has the molecular formula C19H25NO2S2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide
PubChem CID87669232
Molecular FormulaC19H25NO2S2
Molecular Weight363.55 g/mol
Exact Mass363.13
IUPAC Name2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1c(C)cc(C)cc1C)C(S)c1ccccc1
InChIInChI=1S/C19H25NO2S2/c1-5-17(18(23)16-9-7-6-8-10-16)20-24(21,22)19-14(3)11-13(2)12-15(19)4/h6-12,17-18,20,23H,5H2,1-4H3
InChIKeyFHFDKXRXBCLWGM-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 101115397
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738343
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738686
(2R)-N-[(2S)-butan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646021
4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 107863972
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 28560356
(2R)-N,N-diethyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 30142897
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;1-methyl-4-propan-2-ylbenzene;ruthenium
CID 87738223
2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide
CID 102155530

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide (CID 87669232) is 2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide is CCC(NS(=O)(=O)c1c(C)cc(C)cc1C)C(S)c1ccccc1.
What is the InChIKey of 2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide?
The InChIKey is FHFDKXRXBCLWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S2/c1-5-17(18(23)16-9-7-6-8-10-16)20-24(21,22)19-14(3)11-13(2)12-15(19)4/h6-12,17-18,20,23H,5H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide has a molecular weight of 363.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 87669232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).