N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide

C25H28FN3O4S — CID 43055510

IUPACN-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H28FN3O4S/c1-3-29(24(30)15-28-25(31)27-14-18-6-9-20(26)10-7-18)16-19-8-11-22(23(13-19)32-2)33-17-21-5-4-12-34-21/h4-13H,3,14-17H2,1-2H3,(H2,27,28,31)
InChIKeyMWZGSCOGHCGQTG-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.32
Rot. Bonds11

About N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide

N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide (PubChem CID 43055510) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide
PubChem CID43055510
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC NameN-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H28FN3O4S/c1-3-29(24(30)15-28-25(31)27-14-18-6-9-20(26)10-7-18)16-19-8-11-22(23(13-19)32-2)33-17-21-5-4-12-34-21/h4-13H,3,14-17H2,1-2H3,(H2,27,28,31)
InChIKeyMWZGSCOGHCGQTG-UHFFFAOYSA-N
XLogP4.32
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.32
H-Bond Donors ≤ 52
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
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
2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
CID 119271670
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119690288
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-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide
CID 43055509
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31339075
ethyl 6-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55630835
N-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46536513
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 N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide (CID 43055510) is N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide is CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide?
The InChIKey is MWZGSCOGHCGQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c1-3-29(24(30)15-28-25(31)27-14-18-6-9-20(26)10-7-18)16-19-8-11-22(23(13-19)32-2)33-17-21-5-4-12-34-21/h4-13H,3,14-17H2,1-2H3,(H2,27,28,31).
What are the key properties of N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide?
N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide has a molecular weight of 485.58 g/mol, XLogP of 4.32, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 43055510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).