1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate

C18H14FNO3S — CID 55886268

IUPAC1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCc1csc2ccccc12
InChIInChI=1S/C18H14FNO3S/c19-15-7-3-1-6-14(15)18(22)20-9-17(21)23-10-12-11-24-16-8-4-2-5-13(12)16/h1-8,11H,9-10H2,(H,20,22)
InChIKeyPPJUUBGQYMJHTC-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.51
Rot. Bonds5

About 1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate

1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 55886268) has the molecular formula C18H14FNO3S and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID55886268
Molecular FormulaC18H14FNO3S
Molecular Weight343.38 g/mol
Exact Mass343.07
IUPAC Name1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCc1csc2ccccc12
InChIInChI=1S/C18H14FNO3S/c19-15-7-3-1-6-14(15)18(22)20-9-17(21)23-10-12-11-24-16-8-4-2-5-13(12)16/h1-8,11H,9-10H2,(H,20,22)
InChIKeyPPJUUBGQYMJHTC-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-3-ylmethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 55884820
1-benzothiophen-3-ylmethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55885872
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2601985
(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 31864850
N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide
CID 112836987
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
1-benzothiophen-3-ylmethyl 4-oxo-4-phenylbutanoate
CID 55885743
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 112837021
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
1-benzothiophen-3-ylmethyl 4-methylpentanoate
CID 55885356

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of 1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate (CID 55886268) is 1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for 1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for 1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OCc1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is PPJUUBGQYMJHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S/c19-15-7-3-1-6-14(15)18(22)20-9-17(21)23-10-12-11-24-16-8-4-2-5-13(12)16/h1-8,11H,9-10H2,(H,20,22).
What are the key properties of 1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate?
1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 343.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-ylmethyl 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 55886268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).