N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide

C17H21NO2S — CID 110001235

IUPACN-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide
SMILESCc1ccsc1CCCC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-13-10-11-21-16(13)8-5-9-17(20)18-15(12-19)14-6-3-2-4-7-14/h2-4,6-7,10-11,15,19H,5,8-9,12H2,1H3,(H,18,20)
InChIKeyPGRCHWXUSGRBRH-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.23
Rot. Bonds7

About N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide

N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide (PubChem CID 110001235) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide
PubChem CID110001235
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide
SMILESCc1ccsc1CCCC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-13-10-11-21-16(13)8-5-9-17(20)18-15(12-19)14-6-3-2-4-7-14/h2-4,6-7,10-11,15,19H,5,8-9,12H2,1H3,(H,18,20)
InChIKeyPGRCHWXUSGRBRH-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
CID 110001835
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
CID 103946356
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide
CID 67310926
N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide
CID 114300037

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide (CID 110001235) is N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide is Cc1ccsc1CCCC(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide?
The InChIKey is PGRCHWXUSGRBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13-10-11-21-16(13)8-5-9-17(20)18-15(12-19)14-6-3-2-4-7-14/h2-4,6-7,10-11,15,19H,5,8-9,12H2,1H3,(H,18,20).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide?
N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide has a molecular weight of 303.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-4-(3-methylthiophen-2-yl)butanamide is sourced from PubChem (CID 110001235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).