N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide

C17H22N2OS2 — CID 43060765

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)NCC(c2ccsc2)N(C)C)c1
InChIInChI=1S/C17H22N2OS2/c1-19(2)16(15-7-8-22-12-15)10-18-17(20)14-6-4-5-13(9-14)11-21-3/h4-9,12,16H,10-11H2,1-3H3,(H,18,20)
InChIKeyRADMOTWNMYVRDY-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.64
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide (PubChem CID 43060765) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide
PubChem CID43060765
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)NCC(c2ccsc2)N(C)C)c1
InChIInChI=1S/C17H22N2OS2/c1-19(2)16(15-7-8-22-12-15)10-18-17(20)14-6-4-5-13(9-14)11-21-3/h4-9,12,16H,10-11H2,1-3H3,(H,18,20)
InChIKeyRADMOTWNMYVRDY-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide
CID 43045032
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651288
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32635881
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 32631322
(2S)-2-hydroxy-3-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 114006434
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide
CID 30856572
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide (CID 43060765) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide is CSCc1cccc(C(=O)NCC(c2ccsc2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide?
The InChIKey is RADMOTWNMYVRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-19(2)16(15-7-8-22-12-15)10-18-17(20)14-6-4-5-13(9-14)11-21-3/h4-9,12,16H,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide has a molecular weight of 334.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 43060765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).