N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide

C17H22N2O3S — CID 30834274

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC[C@@H](c1cccs1)N(C)C
InChIInChI=1S/C17H22N2O3S/c1-19(2)12(15-9-6-10-23-15)11-18-17(20)16-13(21-3)7-5-8-14(16)22-4/h5-10,12H,11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyWJRWLJJJINOHOZ-LBPRGKRZSA-N
MW334.44 g/mol
LogP2.80
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide (PubChem CID 30834274) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
PubChem CID30834274
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC[C@@H](c1cccs1)N(C)C
InChIInChI=1S/C17H22N2O3S/c1-19(2)12(15-9-6-10-23-15)11-18-17(20)16-13(21-3)7-5-8-14(16)22-4/h5-10,12H,11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyWJRWLJJJINOHOZ-LBPRGKRZSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 36870224
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 30834319
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110621510
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride
CID 52985337
2-(5-acetyl-2-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161796
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyethoxy)acetamide
CID 103606863

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide (CID 30834274) is N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC[C@@H](c1cccs1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide?
The InChIKey is WJRWLJJJINOHOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-19(2)12(15-9-6-10-23-15)11-18-17(20)16-13(21-3)7-5-8-14(16)22-4/h5-10,12H,11H2,1-4H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide has a molecular weight of 334.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 30834274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).