(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide

C19H24N2O4S — CID 46230364

IUPAC(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide
SMILESCN(CCc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1
InChIInChI=1S/C19H24N2O4S/c1-21(12-10-14-6-3-2-4-7-14)19(25)17(23)16(22)18(24)20-11-9-15-8-5-13-26-15/h2-8,13,16-17,22-23H,9-12H2,1H3,(H,20,24)/t16-,17-/m1/s1
InChIKeyCIDXMLVRAFPLQG-IAGOWNOFSA-N
MW376.48 g/mol
LogP0.83
Rot. Bonds9

About (2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide

(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide (PubChem CID 46230364) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide
PubChem CID46230364
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide
SMILESCN(CCc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1
InChIInChI=1S/C19H24N2O4S/c1-21(12-10-14-6-3-2-4-7-14)19(25)17(23)16(22)18(24)20-11-9-15-8-5-13-26-15/h2-8,13,16-17,22-23H,9-12H2,1H3,(H,20,24)/t16-,17-/m1/s1
InChIKeyCIDXMLVRAFPLQG-IAGOWNOFSA-N
XLogP0.83
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide with MolForge

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Related Compounds

(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1S)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide
CID 11682301
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032185
(2R)-2-amino-N-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 79494737
(2R,3R)-N-[(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-(2-phenylethyl)butanediamide
CID 70931063
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)butanamide
CID 143155083
benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate
CID 18111263
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane
CID 143155568
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide (CID 46230364) is (2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide is CN(CCc1ccccc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide?
The InChIKey is CIDXMLVRAFPLQG-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-21(12-10-14-6-3-2-4-7-14)19(25)17(23)16(22)18(24)20-11-9-15-8-5-13-26-15/h2-8,13,16-17,22-23H,9-12H2,1H3,(H,20,24)/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide?
(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide has a molecular weight of 376.48 g/mol, XLogP of 0.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide is sourced from PubChem (CID 46230364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).