(2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide

C18H24N2OS2 — CID 51958555

IUPAC(2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NC[C@@H](c1ccsc1)N(C)C
InChIInChI=1S/C18H24N2OS2/c1-14(23-12-15-7-5-4-6-8-15)18(21)19-11-17(20(2)3)16-9-10-22-13-16/h4-10,13-14,17H,11-12H2,1-3H3,(H,19,21)/t14-,17+/m1/s1
InChIKeyYSXYSFVUGHAGII-PBHICJAKSA-N
MW348.54 g/mol
LogP3.79
Rot. Bonds8

About (2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide

(2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide (PubChem CID 51958555) has the molecular formula C18H24N2OS2 and a molecular weight of 348.54 g/mol. Its IUPAC name is (2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
PubChem CID51958555
Molecular FormulaC18H24N2OS2
Molecular Weight348.54 g/mol
Exact Mass348.13
IUPAC Name(2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NC[C@@H](c1ccsc1)N(C)C
InChIInChI=1S/C18H24N2OS2/c1-14(23-12-15-7-5-4-6-8-15)18(21)19-11-17(20(2)3)16-9-10-22-13-16/h4-10,13-14,17H,11-12H2,1-3H3,(H,19,21)/t14-,17+/m1/s1
InChIKeyYSXYSFVUGHAGII-PBHICJAKSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide
CID 30856572
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-phenoxy-2-phenylacetamide
CID 55761482
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,3-diphenylpropanamide
CID 32631467
2-benzylsulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452281
N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
CID 119995886
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide
CID 43060765
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
2-benzyl-3-(2-benzylsulfanylpropanoylamino)propanoic acid
CID 119233768
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
The IUPAC name of (2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide (CID 51958555) is (2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide.
What is the SMILES notation for (2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
The canonical SMILES for (2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide is C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](c1ccsc1)N(C)C.
What is the InChIKey of (2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
The InChIKey is YSXYSFVUGHAGII-PBHICJAKSA-N. The full InChI is InChI=1S/C18H24N2OS2/c1-14(23-12-15-7-5-4-6-8-15)18(21)19-11-17(20(2)3)16-9-10-22-13-16/h4-10,13-14,17H,11-12H2,1-3H3,(H,19,21)/t14-,17+/m1/s1.
What are the key properties of (2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
(2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide has a molecular weight of 348.54 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide is sourced from PubChem (CID 51958555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).