N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide

C17H21NO2S — CID 111441693

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide
SMILESCc1ccccc1C(C)CC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C17H21NO2S/c1-12-5-3-4-6-15(12)13(2)9-17(20)18-10-16(19)14-7-8-21-11-14/h3-8,11,13,16,19H,9-10H2,1-2H3,(H,18,20)
InChIKeyRXBGLYBWACEPLR-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.40
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide (PubChem CID 111441693) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide
PubChem CID111441693
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide
SMILESCc1ccccc1C(C)CC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C17H21NO2S/c1-12-5-3-4-6-15(12)13(2)9-17(20)18-10-16(19)14-7-8-21-11-14/h3-8,11,13,16,19H,9-10H2,1-2H3,(H,18,20)
InChIKeyRXBGLYBWACEPLR-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427
N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide
CID 111447562
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide
CID 103771719
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187
N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
CID 111433573
4-methyl-2-[[3-(2-methylphenyl)butanoylamino]methyl]pentanoic acid
CID 119252905
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide (CID 111441693) is N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide is Cc1ccccc1C(C)CC(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide?
The InChIKey is RXBGLYBWACEPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12-5-3-4-6-15(12)13(2)9-17(20)18-10-16(19)14-7-8-21-11-14/h3-8,11,13,16,19H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide has a molecular weight of 303.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide is sourced from PubChem (CID 111441693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).