(2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide

C14H18BrNO3S — CID 95240217

IUPAC(2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide
SMILESC[C@H](CNC(=O)[C@H]1COCCO1)Sc1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO3S/c1-10(20-12-4-2-11(15)3-5-12)8-16-14(17)13-9-18-6-7-19-13/h2-5,10,13H,6-9H2,1H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyZWEBBIUSDZRAAO-ZWNOBZJWSA-N
MW360.27 g/mol
LogP2.46
Rot. Bonds5

About (2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide

(2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide (PubChem CID 95240217) has the molecular formula C14H18BrNO3S and a molecular weight of 360.27 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide
PubChem CID95240217
Molecular FormulaC14H18BrNO3S
Molecular Weight360.27 g/mol
Exact Mass359.02
IUPAC Name(2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide
SMILESC[C@H](CNC(=O)[C@H]1COCCO1)Sc1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO3S/c1-10(20-12-4-2-11(15)3-5-12)8-16-14(17)13-9-18-6-7-19-13/h2-5,10,13H,6-9H2,1H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyZWEBBIUSDZRAAO-ZWNOBZJWSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)sulfanyl-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 2379955
2-(4-bromophenyl)sulfanyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 2379957
2-(4-bromophenyl)sulfanyl-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 2379958
2-(4-Bromophenyl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 4215297
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 7903180
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-(4-bromophenyl)sulfanylacetate
CID 7903189
[2-Oxo-2-(pentan-3-ylamino)ethyl] 2-(4-bromophenyl)sulfanylacetate
CID 7903198
[2-[2-(4-Bromophenyl)sulfanylethylamino]-2-oxoethyl] 2-methylpropanoate
CID 8226498
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)sulfanylacetate
CID 8265696
N-[2-(4-bromophenyl)sulfanylethyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8429994
N-[2-(4-bromophenyl)sulfanylethyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8429995
N-[2-(4-bromophenyl)sulfanylethyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8429997

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide (CID 95240217) is (2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide is C[C@H](CNC(=O)[C@H]1COCCO1)Sc1ccc(Br)cc1.
What is the InChIKey of (2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide?
The InChIKey is ZWEBBIUSDZRAAO-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H18BrNO3S/c1-10(20-12-4-2-11(15)3-5-12)8-16-14(17)13-9-18-6-7-19-13/h2-5,10,13H,6-9H2,1H3,(H,16,17)/t10-,13-/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide?
(2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide has a molecular weight of 360.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 95240217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).