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

C15H19ClN2OS — CID 17488209

IUPAC2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1sc2ccccc2c1Cl
InChIInChI=1S/C15H19ClN2OS/c1-10(2)17-14(19)9-18(3)8-13-15(16)11-6-4-5-7-12(11)20-13/h4-7,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyKIXUOIMZQPWVBX-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.51
Rot. Bonds5

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

2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 17488209) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID17488209
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1sc2ccccc2c1Cl
InChIInChI=1S/C15H19ClN2OS/c1-10(2)17-14(19)9-18(3)8-13-15(16)11-6-4-5-7-12(11)20-13/h4-7,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyKIXUOIMZQPWVBX-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide (CID 17488209) is 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)Cc1sc2ccccc2c1Cl.
What is the InChIKey of 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is KIXUOIMZQPWVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-10(2)17-14(19)9-18(3)8-13-15(16)11-6-4-5-7-12(11)20-13/h4-7,10H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide?
2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 310.85 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 17488209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).