(2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide

C17H20N2O4S — CID 70330618

IUPAC(2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide
SMILESNC(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cc(Cc2ccccc2)cs1
InChIInChI=1S/C17H20N2O4S/c18-16(22)14(20)15(21)17(23)19-7-6-13-9-12(10-24-13)8-11-4-2-1-3-5-11/h1-5,9-10,14-15,20-21H,6-8H2,(H2,18,22)(H,19,23)/t14-,15-/m1/s1
InChIKeyLRPNSBVNWVKERV-HUUCEWRRSA-N
MW348.42 g/mol
LogP0.20
Rot. Bonds8

About (2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide

(2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide (PubChem CID 70330618) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide.

Molecular Properties

Compound Name(2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide
PubChem CID70330618
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide
SMILESNC(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cc(Cc2ccccc2)cs1
InChIInChI=1S/C17H20N2O4S/c18-16(22)14(20)15(21)17(23)19-7-6-13-9-12(10-24-13)8-11-4-2-1-3-5-11/h1-5,9-10,14-15,20-21H,6-8H2,(H2,18,22)(H,19,23)/t14-,15-/m1/s1
InChIKeyLRPNSBVNWVKERV-HUUCEWRRSA-N
XLogP0.20
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzylthiophen-2-yl)ethyl]-N'-ethyl-2,3-dihydroxy-N'-propylbutanediamide
CID 143479083
N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;ethane
CID 143479266
(2R)-N'-[[4-[(4-fluorophenyl)methyl]thiophen-2-yl]methyl]-2-hydroxy-3-methylbutanediamide
CID 143155084
(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-N'-propylbutanediamide
CID 143155116
(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide
CID 46230364
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
(2R,3R)-N-[2-[4-[(2,4-difluorophenyl)methyl]thiophen-2-yl]ethyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
CID 58751842
(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
CID 92529727
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid
CID 11849655

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide?
The IUPAC name of (2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide (CID 70330618) is (2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide.
What is the SMILES notation for (2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide?
The canonical SMILES for (2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide is NC(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cc(Cc2ccccc2)cs1.
What is the InChIKey of (2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide?
The InChIKey is LRPNSBVNWVKERV-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H20N2O4S/c18-16(22)14(20)15(21)17(23)19-7-6-13-9-12(10-24-13)8-11-4-2-1-3-5-11/h1-5,9-10,14-15,20-21H,6-8H2,(H2,18,22)(H,19,23)/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide?
(2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide has a molecular weight of 348.42 g/mol, XLogP of 0.20, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide is sourced from PubChem (CID 70330618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).