(2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide

C20H21NO2S2 — CID 124875908

IUPAC(2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NC[C@@](O)(c1ccsc1)c1cccs1)c1ccccc1
InChIInChI=1S/C20H21NO2S2/c1-2-17(15-7-4-3-5-8-15)19(22)21-14-20(23,16-10-12-24-13-16)18-9-6-11-25-18/h3-13,17,23H,2,14H2,1H3,(H,21,22)/t17-,20-/m1/s1
InChIKeyKCLRVWGZKVUOLU-YLJYHZDGSA-N
MW371.53 g/mol
LogP4.36
Rot. Bonds7

About (2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide

(2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide (PubChem CID 124875908) has the molecular formula C20H21NO2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide
PubChem CID124875908
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC Name(2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NC[C@@](O)(c1ccsc1)c1cccs1)c1ccccc1
InChIInChI=1S/C20H21NO2S2/c1-2-17(15-7-4-3-5-8-15)19(22)21-14-20(23,16-10-12-24-13-16)18-9-6-11-25-18/h3-13,17,23H,2,14H2,1H3,(H,21,22)/t17-,20-/m1/s1
InChIKeyKCLRVWGZKVUOLU-YLJYHZDGSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide 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

N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylbutanamide
CID 119099245
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124875855
N-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea
CID 124878238
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124760669
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 124760414
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293
4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide
CID 121170103
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide
CID 121170078

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide (CID 124875908) is (2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide is CC[C@@H](C(=O)NC[C@@](O)(c1ccsc1)c1cccs1)c1ccccc1.
What is the InChIKey of (2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide?
The InChIKey is KCLRVWGZKVUOLU-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H21NO2S2/c1-2-17(15-7-4-3-5-8-15)19(22)21-14-20(23,16-10-12-24-13-16)18-9-6-11-25-18/h3-13,17,23H,2,14H2,1H3,(H,21,22)/t17-,20-/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide?
(2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide has a molecular weight of 371.53 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide is sourced from PubChem (CID 124875908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).