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

C19H16ClNO3S — CID 25163591

IUPAC1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1
InChIInChI=1S/C19H16ClNO3S/c1-12(13-7-3-2-4-8-13)24-16(22)11-21-19(23)18-17(20)14-9-5-6-10-15(14)25-18/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyLZBGRZCUNIVANL-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.59
Rot. Bonds5

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

1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate (PubChem CID 25163591) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
PubChem CID25163591
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1
InChIInChI=1S/C19H16ClNO3S/c1-12(13-7-3-2-4-8-13)24-16(22)11-21-19(23)18-17(20)14-9-5-6-10-15(14)25-18/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyLZBGRZCUNIVANL-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate with MolForge

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Related Compounds

[(Thiophene-2-carbonyl)-amino]-acetic acid 4-chloro-benzyl ester
CID 755838
[2-(Cyclohexylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 2347320
2-((Cyclohexylmethyl)amino)-2-oxoethyl 3-chlorobenzo[b]thiophene-2-carboxylate
CID 2353386
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 2356170
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 4528814
[2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 24326117
Methyl 4-[[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate
CID 24980591
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 3967493
Methyl 2-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]-3-phenylpropanoate
CID 16284392
(2-Methylphenyl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 16577291
(2-Chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2467460
3-chloro-6-fluoro-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide
CID 2620677

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate?
The IUPAC name of 1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate (CID 25163591) is 1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for 1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate?
The canonical SMILES for 1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate is CC(OC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1.
What is the InChIKey of 1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate?
The InChIKey is LZBGRZCUNIVANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-12(13-7-3-2-4-8-13)24-16(22)11-21-19(23)18-17(20)14-9-5-6-10-15(14)25-18/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of 1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate?
1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate has a molecular weight of 373.86 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 25163591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).