ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate

C19H16ClNO4S — CID 39269573

IUPACethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C19H16ClNO4S/c1-2-24-16(22)11-25-13-7-5-6-12(10-13)21-19(23)18-17(20)14-8-3-4-9-15(14)26-18/h3-10H,2,11H2,1H3,(H,21,23)
InChIKeyPHABABWLFYKBHZ-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.75
Rot. Bonds6

About ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate

ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate (PubChem CID 39269573) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate
PubChem CID39269573
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Nameethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C19H16ClNO4S/c1-2-24-16(22)11-25-13-7-5-6-12(10-13)21-19(23)18-17(20)14-8-3-4-9-15(14)26-18/h3-10H,2,11H2,1H3,(H,21,23)
InChIKeyPHABABWLFYKBHZ-UHFFFAOYSA-N
XLogP4.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 34739145
3-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-benzothiophene-2-carboxamide
CID 32943736
N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
ethyl 3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]benzoate
CID 9228140
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate
CID 131735213
3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide
CID 18169005

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate (CID 39269573) is ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1.
What is the InChIKey of ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate?
The InChIKey is PHABABWLFYKBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-2-24-16(22)11-25-13-7-5-6-12(10-13)21-19(23)18-17(20)14-8-3-4-9-15(14)26-18/h3-10H,2,11H2,1H3,(H,21,23).
What are the key properties of ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate?
ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate has a molecular weight of 389.86 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 39269573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).