N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

C16H19ClN2OS — CID 8925838

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCCc1cccc(Cl)c1)Cc1ccsc1
InChIInChI=1S/C16H19ClN2OS/c1-19(10-14-6-8-21-12-14)11-16(20)18-7-5-13-3-2-4-15(17)9-13/h2-4,6,8-9,12H,5,7,10-11H2,1H3,(H,18,20)
InChIKeyZYVIUFLKRIYXDF-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.19
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (PubChem CID 8925838) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
PubChem CID8925838
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCCc1cccc(Cl)c1)Cc1ccsc1
InChIInChI=1S/C16H19ClN2OS/c1-19(10-14-6-8-21-12-14)11-16(20)18-7-5-13-3-2-4-15(17)9-13/h2-4,6,8-9,12H,5,7,10-11H2,1H3,(H,18,20)
InChIKeyZYVIUFLKRIYXDF-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 26512399
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26512391
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-(5-chloro-2-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054913
3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
CID 91624486
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112800289
N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925841
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147731

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (CID 8925838) is N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is CN(CC(=O)NCCc1cccc(Cl)c1)Cc1ccsc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The InChIKey is ZYVIUFLKRIYXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-19(10-14-6-8-21-12-14)11-16(20)18-7-5-13-3-2-4-15(17)9-13/h2-4,6,8-9,12H,5,7,10-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide has a molecular weight of 322.86 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 8925838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).