N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide

C14H23NO3S — CID 111451949

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C14H23NO3S/c1-11(2)8-18-6-4-13(16)15-10-14(3,17)12-5-7-19-9-12/h5,7,9,11,17H,4,6,8,10H2,1-3H3,(H,15,16)
InChIKeyMNFGCFGSKCDMJA-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.13
Rot. Bonds8

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide (PubChem CID 111451949) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide
PubChem CID111451949
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C14H23NO3S/c1-11(2)8-18-6-4-13(16)15-10-14(3,17)12-5-7-19-9-12/h5,7,9,11,17H,4,6,8,10H2,1-3H3,(H,15,16)
InChIKeyMNFGCFGSKCDMJA-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.13
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

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide
CID 111484023
3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111519812
N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
CID 109477004
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-oxobutanamide
CID 111452217
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide
CID 111451808
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide
CID 111451822
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452290
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide
CID 111451994

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide (CID 111451949) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)NCC(C)(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide?
The InChIKey is MNFGCFGSKCDMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(2)8-18-6-4-13(16)15-10-14(3,17)12-5-7-19-9-12/h5,7,9,11,17H,4,6,8,10H2,1-3H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide has a molecular weight of 285.41 g/mol, XLogP of 2.13, 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)-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 111451949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).