2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide

C20H28N2O3S — CID 119271670

IUPAC2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)N(CC)Cc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C20H28N2O3S/c1-4-7-17(21)20(23)22(5-2)13-15-9-10-18(19(12-15)24-3)25-14-16-8-6-11-26-16/h6,8-12,17H,4-5,7,13-14,21H2,1-3H3
InChIKeyHVXLODYTQWEWAW-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.81
Rot. Bonds10

About 2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide

2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide (PubChem CID 119271670) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
PubChem CID119271670
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)N(CC)Cc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C20H28N2O3S/c1-4-7-17(21)20(23)22(5-2)13-15-9-10-18(19(12-15)24-3)25-14-16-8-6-11-26-16/h6,8-12,17H,4-5,7,13-14,21H2,1-3H3
InChIKeyHVXLODYTQWEWAW-UHFFFAOYSA-N
XLogP3.81
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,N'-triethyl-N'-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanediamide
CID 56522009
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide
CID 17468464
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119690288
3-(2,5-dimethoxyphenyl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 38021262
2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 55372221
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
ethyl 6-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55630835
3-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 55543953
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31339075
N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide
CID 43055510
2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide
CID 43022191

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide (CID 119271670) is 2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide is CCCC(N)C(=O)N(CC)Cc1ccc(OCc2cccs2)c(OC)c1.
What is the InChIKey of 2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide?
The InChIKey is HVXLODYTQWEWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-4-7-17(21)20(23)22(5-2)13-15-9-10-18(19(12-15)24-3)25-14-16-8-6-11-26-16/h6,8-12,17H,4-5,7,13-14,21H2,1-3H3.
What are the key properties of 2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide?
2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide has a molecular weight of 376.52 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 119271670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).