3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

C19H17ClN2O3S — CID 17428499

IUPAC3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)CNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H17ClN2O3S/c1-25-14-8-4-2-6-12(14)10-21-16(23)11-22-19(24)18-17(20)13-7-3-5-9-15(13)26-18/h2-9H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyZLGIWICAAKGHBG-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.61
Rot. Bonds6

About 3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 17428499) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID17428499
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)CNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H17ClN2O3S/c1-25-14-8-4-2-6-12(14)10-21-16(23)11-22-19(24)18-17(20)13-7-3-5-9-15(13)26-18/h2-9H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyZLGIWICAAKGHBG-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 17428499) is 3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is COc1ccccc1CNC(=O)CNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZLGIWICAAKGHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-25-14-8-4-2-6-12(14)10-21-16(23)11-22-19(24)18-17(20)13-7-3-5-9-15(13)26-18/h2-9H,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 388.88 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17428499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).