N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide

C18H23NO3S — CID 111451808

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NCC(C)(O)c2ccsc2)c1
InChIInChI=1S/C18H23NO3S/c1-14-5-3-6-16(11-14)22-9-4-7-17(20)19-13-18(2,21)15-8-10-23-12-15/h3,5-6,8,10-12,21H,4,7,9,13H2,1-2H3,(H,19,20)
InChIKeyXIVHDTKYUUNKGE-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.24
Rot. Bonds8

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide (PubChem CID 111451808) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide
PubChem CID111451808
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NCC(C)(O)c2ccsc2)c1
InChIInChI=1S/C18H23NO3S/c1-14-5-3-6-16(11-14)22-9-4-7-17(20)19-13-18(2,21)15-8-10-23-12-15/h3,5-6,8,10-12,21H,4,7,9,13H2,1-2H3,(H,19,20)
InChIKeyXIVHDTKYUUNKGE-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)butanamide
CID 78786017
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide
CID 134008156
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methylphenoxy)butanamide
CID 104858238
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide
CID 111452247
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111654450
5-(3-methylphenoxy)-N-prop-2-ynylpentanamide
CID 60584237
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
1-ethyl-3-[4-(3-methylphenoxy)butanoylamino]thiourea
CID 7977503
N-[2-(diethylamino)ethyl]-4-(3-methylphenoxy)butanamide
CID 78782902
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide (CID 111451808) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)NCC(C)(O)c2ccsc2)c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide?
The InChIKey is XIVHDTKYUUNKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-14-5-3-6-16(11-14)22-9-4-7-17(20)19-13-18(2,21)15-8-10-23-12-15/h3,5-6,8,10-12,21H,4,7,9,13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide has a molecular weight of 333.45 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 111451808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).