methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate

C19H15FN2O4S — CID 34073469

IUPACmethyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cc3c(F)cccc3s2)cc1
InChIInChI=1S/C19H15FN2O4S/c1-26-17(23)10-21-18(24)11-5-7-12(8-6-11)22-19(25)16-9-13-14(20)3-2-4-15(13)27-16/h2-9H,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyXCRUTMYGONGHQO-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.20
Rot. Bonds5

About methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate

methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate (PubChem CID 34073469) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate
PubChem CID34073469
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Namemethyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cc3c(F)cccc3s2)cc1
InChIInChI=1S/C19H15FN2O4S/c1-26-17(23)10-21-18(24)11-5-7-12(8-6-11)22-19(25)16-9-13-14(20)3-2-4-15(13)27-16/h2-9H,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyXCRUTMYGONGHQO-UHFFFAOYSA-N
XLogP3.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate with MolForge

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Related Compounds

methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 30469108
4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide
CID 55545508
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
CID 60596590
4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 30752027
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 30664998
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55782825
2-[[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465286
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
methyl 2-[[4-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzoyl]amino]acetate
CID 51213111
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55902337

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate (CID 34073469) is methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)c2cc3c(F)cccc3s2)cc1.
What is the InChIKey of methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate?
The InChIKey is XCRUTMYGONGHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c1-26-17(23)10-21-18(24)11-5-7-12(8-6-11)22-19(25)16-9-13-14(20)3-2-4-15(13)27-16/h2-9H,10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate?
methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate has a molecular weight of 386.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate is sourced from PubChem (CID 34073469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).