(3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate

C19H16ClNO3S — CID 24529825

IUPAC(3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C19H16ClNO3S/c1-12(22)21-14-8-6-13(7-9-14)10-18(23)24-11-17-19(20)15-4-2-3-5-16(15)25-17/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyMAZMDXLHKHCDAN-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.80
Rot. Bonds5

About (3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate

(3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate (PubChem CID 24529825) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate
PubChem CID24529825
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name(3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C19H16ClNO3S/c1-12(22)21-14-8-6-13(7-9-14)10-18(23)24-11-17-19(20)15-4-2-3-5-16(15)25-17/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyMAZMDXLHKHCDAN-UHFFFAOYSA-N
XLogP4.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
CID 8611518
(3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate
CID 24557190
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
(3-chloro-1-benzothiophen-2-yl)methyl 2-(4-cyanophenoxy)acetate
CID 24557565
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate
CID 8610251
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
(3-chloro-1-benzothiophen-2-yl)methyl 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 18207777
(3-chloro-1-benzothiophen-2-yl)methyl pyridine-2-carboxylate
CID 24529791
[2-(4-acetamidophenyl)-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate
CID 8835359
2-[(3-chloro-1-benzothiophen-2-yl)methoxy]benzamide
CID 39980889
cyanomethyl 2-(4-acetamidophenyl)acetate
CID 8608142

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate (CID 24529825) is (3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCc2sc3ccccc3c2Cl)cc1.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The InChIKey is MAZMDXLHKHCDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-12(22)21-14-8-6-13(7-9-14)10-18(23)24-11-17-19(20)15-4-2-3-5-16(15)25-17/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of (3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate?
(3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate has a molecular weight of 373.86 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 24529825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).