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

C20H22N2OS3 — CID 30856572

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccccc1SCc1ccsc1)c1ccsc1
InChIInChI=1S/C20H22N2OS3/c1-22(2)18(16-8-10-25-14-16)11-21-20(23)17-5-3-4-6-19(17)26-13-15-7-9-24-12-15/h3-10,12,14,18H,11,13H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyGHOXPHHJSCVQSQ-SFHVURJKSA-N
MW402.61 g/mol
LogP5.13
Rot. Bonds8

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

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide (PubChem CID 30856572) has the molecular formula C20H22N2OS3 and a molecular weight of 402.61 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide
PubChem CID30856572
Molecular FormulaC20H22N2OS3
Molecular Weight402.61 g/mol
Exact Mass402.09
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccccc1SCc1ccsc1)c1ccsc1
InChIInChI=1S/C20H22N2OS3/c1-22(2)18(16-8-10-25-14-16)11-21-20(23)17-5-3-4-6-19(17)26-13-15-7-9-24-12-15/h3-10,12,14,18H,11,13H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyGHOXPHHJSCVQSQ-SFHVURJKSA-N
XLogP5.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.61
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylsulfonylbenzamide
CID 33090690
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
CID 42953753
(2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 51958555
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
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-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-3-nitrobenzamide
CID 42548875
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide
CID 47024547
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide (CID 30856572) is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide is CN(C)[C@@H](CNC(=O)c1ccccc1SCc1ccsc1)c1ccsc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide?
The InChIKey is GHOXPHHJSCVQSQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2OS3/c1-22(2)18(16-8-10-25-14-16)11-21-20(23)17-5-3-4-6-19(17)26-13-15-7-9-24-12-15/h3-10,12,14,18H,11,13H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide has a molecular weight of 402.61 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 30856572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).