N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide

C13H15ClN2OS — CID 56865105

IUPACN-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)Cc1sc2ccccc2c1Cl
InChIInChI=1S/C13H15ClN2OS/c1-15-7-12(17)16(2)8-11-13(14)9-5-3-4-6-10(9)18-11/h3-6,15H,7-8H2,1-2H3
InChIKeyKMCDTZZHXSBMKX-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.73
Rot. Bonds4

About N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide (PubChem CID 56865105) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide
PubChem CID56865105
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)Cc1sc2ccccc2c1Cl
InChIInChI=1S/C13H15ClN2OS/c1-15-7-12(17)16(2)8-11-13(14)9-5-3-4-6-10(9)18-11/h3-6,15H,7-8H2,1-2H3
InChIKeyKMCDTZZHXSBMKX-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide (CID 56865105) is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)Cc1sc2ccccc2c1Cl.
What is the InChIKey of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is KMCDTZZHXSBMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-15-7-12(17)16(2)8-11-13(14)9-5-3-4-6-10(9)18-11/h3-6,15H,7-8H2,1-2H3.
What are the key properties of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide?
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 282.80 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 56865105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).