(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide

C17H23NO5S2 — CID 124840323

IUPAC(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide
SMILESO=S1(=O)CC[C@H](N(C[C@H]2CCCO2)S(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C17H23NO5S2/c19-24(20)11-9-16(14-24)18(13-17-7-4-10-23-17)25(21,22)12-8-15-5-2-1-3-6-15/h1-3,5-6,8,12,16-17H,4,7,9-11,13-14H2/b12-8+/t16-,17+/m0/s1
InChIKeyXCMJJAVJTZBAOD-SCGCXBKJSA-N
MW385.51 g/mol
LogP1.66
Rot. Bonds6

About (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide

(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide (PubChem CID 124840323) has the molecular formula C17H23NO5S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide
PubChem CID124840323
Molecular FormulaC17H23NO5S2
Molecular Weight385.51 g/mol
Exact Mass385.10
IUPAC Name(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide
SMILESO=S1(=O)CC[C@H](N(C[C@H]2CCCO2)S(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C17H23NO5S2/c19-24(20)11-9-16(14-24)18(13-17-7-4-10-23-17)25(21,22)12-8-15-5-2-1-3-6-15/h1-3,5-6,8,12,16-17H,4,7,9-11,13-14H2/b12-8+/t16-,17+/m0/s1
InChIKeyXCMJJAVJTZBAOD-SCGCXBKJSA-N
XLogP1.66
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide
CID 92934602
(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide
CID 46604966
N-[(3S)-1,1-dioxothiolan-3-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 124741969
4-(1-adamantyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40957687
(3S)-N-[(2-chlorophenyl)methyl]-1,1-dioxo-N-[[(2R)-oxolan-2-yl]methyl]thiolan-3-amine
CID 124777743
2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 164663511
(E)-3-(4-tert-butylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 42944061
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 9449872
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-4-phenoxybenzamide
CID 8019925
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 9449873
(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 7323694
(E)-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 42940040

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide (CID 124840323) is (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide is O=S1(=O)CC[C@H](N(C[C@H]2CCCO2)S(=O)(=O)/C=C/c2ccccc2)C1.
What is the InChIKey of (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide?
The InChIKey is XCMJJAVJTZBAOD-SCGCXBKJSA-N. The full InChI is InChI=1S/C17H23NO5S2/c19-24(20)11-9-16(14-24)18(13-17-7-4-10-23-17)25(21,22)12-8-15-5-2-1-3-6-15/h1-3,5-6,8,12,16-17H,4,7,9-11,13-14H2/b12-8+/t16-,17+/m0/s1.
What are the key properties of (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide?
(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide has a molecular weight of 385.51 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 124840323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).