2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C16H19ClN2OS — CID 78788041

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)N(C)Cc1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C16H19ClN2OS/c1-18(10-13-6-3-4-8-15(13)17)12-16(20)19(2)11-14-7-5-9-21-14/h3-9H,10-12H2,1-2H3
InChIKeyKXQLAYTYRXFXQT-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.49
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 78788041) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID78788041
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)N(C)Cc1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C16H19ClN2OS/c1-18(10-13-6-3-4-8-15(13)17)12-16(20)19(2)11-14-7-5-9-21-14/h3-9H,10-12H2,1-2H3
InChIKeyKXQLAYTYRXFXQT-UHFFFAOYSA-N
XLogP3.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
CID 71750260
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8965206
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79652724
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696457
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556387
N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 52572631
N-[(2-chlorophenyl)methyl]-N-methyl-4-oxo-4-thiophen-2-ylbutanamide
CID 78768555
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 134058104
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 43527556

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 78788041) is 2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(CC(=O)N(C)Cc1cccs1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KXQLAYTYRXFXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-18(10-13-6-3-4-8-15(13)17)12-16(20)19(2)11-14-7-5-9-21-14/h3-9H,10-12H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 322.86 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 78788041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).