N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide

C16H20N2OS — CID 42549154

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1
InChIInChI=1S/C16H20N2OS/c1-12-5-4-6-13(9-12)16(19)17-10-15(18(2)3)14-7-8-20-11-14/h4-9,11,15H,10H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyMSCHAJACMKQLNW-HNNXBMFYSA-N
MW288.42 g/mol
LogP3.09
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide (PubChem CID 42549154) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
PubChem CID42549154
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1
InChIInChI=1S/C16H20N2OS/c1-12-5-4-6-13(9-12)16(19)17-10-15(18(2)3)14-7-8-20-11-14/h4-9,11,15H,10H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyMSCHAJACMKQLNW-HNNXBMFYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide
CID 43060765
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide
CID 16931206
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651288
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 32631322
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55588965

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide (CID 42549154) is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide?
The InChIKey is MSCHAJACMKQLNW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-5-4-6-13(9-12)16(19)17-10-15(18(2)3)14-7-8-20-11-14/h4-9,11,15H,10H2,1-3H3,(H,17,19)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide has a molecular weight of 288.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide is sourced from PubChem (CID 42549154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).