(2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide

C17H21NO2S — CID 124608254

IUPAC(2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESC[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCCc1cccs1
InChIInChI=1S/C17H21NO2S/c1-13(14-7-4-3-5-8-14)17(2,20)16(19)18-11-10-15-9-6-12-21-15/h3-9,12-13,20H,10-11H2,1-2H3,(H,18,19)/t13-,17-/m1/s1
InChIKeyZYYJDIWNIUCUJP-CXAGYDPISA-N
MW303.43 g/mol
LogP2.96
Rot. Bonds6

About (2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide

(2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 124608254) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID124608254
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name(2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESC[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCCc1cccs1
InChIInChI=1S/C17H21NO2S/c1-13(14-7-4-3-5-8-14)17(2,20)16(19)18-11-10-15-9-6-12-21-15/h3-9,12-13,20H,10-11H2,1-2H3,(H,18,19)/t13-,17-/m1/s1
InChIKeyZYYJDIWNIUCUJP-CXAGYDPISA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157089
(2R,3R)-2,3-dihydroxy-N-methyl-N-[(1S)-1-phenylethyl]-N'-(2-thiophen-2-ylethyl)butanediamide
CID 11682301
2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 111750360
3-methyl-2-[(2-thiophen-2-ylethylcarbamoylamino)methyl]butanoic acid
CID 65218687
(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid
CID 61189678
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111803927
N-tert-butyl-2-(2-thiophen-2-ylethylamino)propanamide
CID 43087974
3,3-dimethyl-5-oxo-5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 62934552
2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 86908769
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of (2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide (CID 124608254) is (2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for (2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for (2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide is C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCCc1cccs1.
What is the InChIKey of (2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is ZYYJDIWNIUCUJP-CXAGYDPISA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13(14-7-4-3-5-8-14)17(2,20)16(19)18-11-10-15-9-6-12-21-15/h3-9,12-13,20H,10-11H2,1-2H3,(H,18,19)/t13-,17-/m1/s1.
What are the key properties of (2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide?
(2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 303.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 124608254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).