(2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide

C18H19NO2S2 — CID 145385646

IUPAC(2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide
SMILESNC(=O)[C@]1(C(O)Cc2ccccc2)SCC(c2ccccc2)S1
InChIInChI=1S/C18H19NO2S2/c19-17(21)18(16(20)11-13-7-3-1-4-8-13)22-12-15(23-18)14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H2,19,21)/t15?,16?,18-/m1/s1
InChIKeyKSIWATQWWNUVND-LEOMRAHMSA-N
MW345.49 g/mol
LogP2.99
Rot. Bonds5

About (2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide

(2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide (PubChem CID 145385646) has the molecular formula C18H19NO2S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide
PubChem CID145385646
Molecular FormulaC18H19NO2S2
Molecular Weight345.49 g/mol
Exact Mass345.09
IUPAC Name(2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide
SMILESNC(=O)[C@]1(C(O)Cc2ccccc2)SCC(c2ccccc2)S1
InChIInChI=1S/C18H19NO2S2/c19-17(21)18(16(20)11-13-7-3-1-4-8-13)22-12-15(23-18)14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H2,19,21)/t15?,16?,18-/m1/s1
InChIKeyKSIWATQWWNUVND-LEOMRAHMSA-N
XLogP2.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-4-phenyl-2-phenylsulfanylbutanamide
CID 134917603
(2S)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide
CID 145385602
(2S)-2-(2-benzyl-1,3-dioxolan-2-yl)-4-phenyl-1,3-dithiolane-2-carboxamide
CID 145385609
(2S)-3-hydroxy-2,5-dimethyl-2-(2-phenyl-2-sulfanylethyl)sulfanylhexanamide
CID 145385619
(2R)-2-(1-hydroxy-2-methylpropyl)-4-phenyl-1,3-dithiolane-2-carboxamide
CID 145385631
CID 155578759
CID 155578759
8-Benzylsulfanyl-3,3-dihydroxyoctanamide;phenylmethanethiol
CID 155578788
6,8-Bis(benzylsulfanyl)-3-deuterio-3-hydroxyoctanamide
CID 169316134
2-(2-Hydroxy-2-phenylethyl)sulfanyl-2-phenylacetamide
CID 45829488
(2S)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-2-phenylacetamide
CID 93620968
(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-2-phenylacetamide
CID 93620969
(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-2-phenylacetamide
CID 93620970

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide?
The IUPAC name of (2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide (CID 145385646) is (2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide.
What is the SMILES notation for (2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide?
The canonical SMILES for (2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide is NC(=O)[C@]1(C(O)Cc2ccccc2)SCC(c2ccccc2)S1.
What is the InChIKey of (2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide?
The InChIKey is KSIWATQWWNUVND-LEOMRAHMSA-N. The full InChI is InChI=1S/C18H19NO2S2/c19-17(21)18(16(20)11-13-7-3-1-4-8-13)22-12-15(23-18)14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H2,19,21)/t15?,16?,18-/m1/s1.
What are the key properties of (2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide?
(2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-hydroxy-2-phenylethyl)-4-phenyl-1,3-dithiolane-2-carboxamide is sourced from PubChem (CID 145385646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).