N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide

C19H25NO3S — CID 51966867

IUPACN-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide
SMILESCC(C)C[C@@H](NC(=O)COCCOc1ccccc1)c1cccs1
InChIInChI=1S/C19H25NO3S/c1-15(2)13-17(18-9-6-12-24-18)20-19(21)14-22-10-11-23-16-7-4-3-5-8-16/h3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyQNOJRRTWEQGULN-QGZVFWFLSA-N
MW347.48 g/mol
LogP4.05
Rot. Bonds10

About N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide

N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide (PubChem CID 51966867) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide
PubChem CID51966867
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide
SMILESCC(C)C[C@@H](NC(=O)COCCOc1ccccc1)c1cccs1
InChIInChI=1S/C19H25NO3S/c1-15(2)13-17(18-9-6-12-24-18)20-19(21)14-22-10-11-23-16-7-4-3-5-8-16/h3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyQNOJRRTWEQGULN-QGZVFWFLSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596104
2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone
CID 43798587
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824
N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55702572
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid
CID 119213147
N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 120831954
N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
CID 55371721
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide (CID 51966867) is N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide is CC(C)C[C@@H](NC(=O)COCCOc1ccccc1)c1cccs1.
What is the InChIKey of N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide?
The InChIKey is QNOJRRTWEQGULN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-15(2)13-17(18-9-6-12-24-18)20-19(21)14-22-10-11-23-16-7-4-3-5-8-16/h3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide?
N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide has a molecular weight of 347.48 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 51966867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).