[2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate

C19H16ClNO3S — CID 2352390

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H16ClNO3S/c1-21(11-13-7-3-2-4-8-13)16(22)12-24-19(23)18-17(20)14-9-5-6-10-15(14)25-18/h2-10H,11-12H2,1H3
InChIKeyIWWJPRXGZXYBTG-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.37
Rot. Bonds5

About [2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate (PubChem CID 2352390) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
PubChem CID2352390
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H16ClNO3S/c1-21(11-13-7-3-2-4-8-13)16(22)12-24-19(23)18-17(20)14-9-5-6-10-15(14)25-18/h2-10H,11-12H2,1H3
InChIKeyIWWJPRXGZXYBTG-UHFFFAOYSA-N
XLogP4.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate (CID 2352390) is [2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate is CN(Cc1ccccc1)C(=O)COC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate?
The InChIKey is IWWJPRXGZXYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-21(11-13-7-3-2-4-8-13)16(22)12-24-19(23)18-17(20)14-9-5-6-10-15(14)25-18/h2-10H,11-12H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate has a molecular weight of 373.86 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 2352390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).