N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide

C12H19NO2S — CID 110698390

IUPACN-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCOCCCNC(=O)C(C)(C)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-12(2,10-6-4-9-16-10)11(14)13-7-5-8-15-3/h4,6,9H,5,7-8H2,1-3H3,(H,13,14)
InChIKeyXEBVZNJIMMVAJA-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.18
Rot. Bonds6

About N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide

N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide (PubChem CID 110698390) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide
PubChem CID110698390
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCOCCCNC(=O)C(C)(C)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-12(2,10-6-4-9-16-10)11(14)13-7-5-8-15-3/h4,6,9H,5,7-8H2,1-3H3,(H,13,14)
InChIKeyXEBVZNJIMMVAJA-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
CID 119234391
7-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]heptanoic acid
CID 119227273
1-(3-methoxypropyl)-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111582546
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]propanoic acid
CID 119249396
N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198021
N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111485911
N-(2-amino-2-ethylbutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 119642853
1-amino-3-(3-methoxypropyl)-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 116515911
N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111825074
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 71972444

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide?
The IUPAC name of N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide (CID 110698390) is N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide is COCCCNC(=O)C(C)(C)c1cccs1.
What is the InChIKey of N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide?
The InChIKey is XEBVZNJIMMVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,10-6-4-9-16-10)11(14)13-7-5-8-15-3/h4,6,9H,5,7-8H2,1-3H3,(H,13,14).
What are the key properties of N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide?
N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 110698390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).