4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide

C24H25NO3S2 — CID 134933102

IUPAC4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide
SMILESC/C(=C\CCc1ccccc1)[S@](=O)(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H25NO3S2/c1-20-16-18-24(19-17-20)30(27,28)25-29(26,23-14-7-4-8-15-23)21(2)10-9-13-22-11-5-3-6-12-22/h3-8,10-12,14-19H,9,13H2,1-2H3/b21-10+/t29-/m1/s1
InChIKeyXKDSUFJZXSHCIE-UJCVRBOOSA-N
MW439.60 g/mol
LogP5.75
Rot. Bonds7

About 4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide

4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide (PubChem CID 134933102) has the molecular formula C24H25NO3S2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide
PubChem CID134933102
Molecular FormulaC24H25NO3S2
Molecular Weight439.60 g/mol
Exact Mass439.13
IUPAC Name4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide
SMILESC/C(=C\CCc1ccccc1)[S@](=O)(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H25NO3S2/c1-20-16-18-24(19-17-20)30(27,28)25-29(26,23-14-7-4-8-15-23)21(2)10-9-13-22-11-5-3-6-12-22/h3-8,10-12,14-19H,9,13H2,1-2H3/b21-10+/t29-/m1/s1
InChIKeyXKDSUFJZXSHCIE-UJCVRBOOSA-N
XLogP5.75
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(E)-3-bromo-1-phenylprop-1-en-2-yl]-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 11420733
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide
CID 10935998
N-[[(2R,3S)-2-deuterio-3-(2-phenylethyl)oxiran-2-yl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 25047599
N-[[(2Z,4Z)-1-hydroxynona-2,4-dien-4-yl]-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 102388143
1-methyl-4-[(Z)-3-methyl-4-phenylbut-2-enyl]sulfonylbenzene
CID 134900740
N-[2-(diethylamino)ethyl-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 101212834
2,2-dimethyl-3-[(E)-3-methyl-6-phenylhex-3-enyl]-1-(4-methylphenyl)sulfonylaziridine
CID 101486933
N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
CID 46225391
3-[(7E)-3,7-dimethyl-10-phenyldeca-3,7-dienyl]-2,2-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 134942159
4-methylbenzenesulfonic acid;11-phenylundec-8-en-1-ol
CID 86133811
N-[[(2R)-2-hydroxy-3-methylbutyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 10474967

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide (CID 134933102) is 4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide is C/C(=C\CCc1ccccc1)[S@](=O)(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide?
The InChIKey is XKDSUFJZXSHCIE-UJCVRBOOSA-N. The full InChI is InChI=1S/C24H25NO3S2/c1-20-16-18-24(19-17-20)30(27,28)25-29(26,23-14-7-4-8-15-23)21(2)10-9-13-22-11-5-3-6-12-22/h3-8,10-12,14-19H,9,13H2,1-2H3/b21-10+/t29-/m1/s1.
What are the key properties of 4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide?
4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide has a molecular weight of 439.60 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[oxo-phenyl-[(E)-5-phenylpent-2-en-2-yl]-λ6-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 134933102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).