5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide

C16H19ClN2O2S — CID 2532293

IUPAC5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC[C@H](c1cccs1)N(C)C
InChIInChI=1S/C16H19ClN2O2S/c1-19(2)13(15-5-4-8-22-15)10-18-16(20)12-9-11(17)6-7-14(12)21-3/h4-9,13H,10H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyVMTYRYNXWQPCHY-CYBMUJFWSA-N
MW338.86 g/mol
LogP3.44
Rot. Bonds6

About 5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide

5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide (PubChem CID 2532293) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
PubChem CID2532293
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC[C@H](c1cccs1)N(C)C
InChIInChI=1S/C16H19ClN2O2S/c1-19(2)13(15-5-4-8-22-15)10-18-16(20)12-9-11(17)6-7-14(12)21-3/h4-9,13H,10H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyVMTYRYNXWQPCHY-CYBMUJFWSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 30834319
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 71804650
5-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 16810739
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110621510
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide (CID 2532293) is 5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC[C@H](c1cccs1)N(C)C.
What is the InChIKey of 5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide?
The InChIKey is VMTYRYNXWQPCHY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-19(2)13(15-5-4-8-22-15)10-18-16(20)12-9-11(17)6-7-14(12)21-3/h4-9,13H,10H2,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide?
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide has a molecular weight of 338.86 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide is sourced from PubChem (CID 2532293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).