1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide

C24H30N4O2S2 — CID 46592184

IUPAC1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
SMILESCN(C)C(CNC(=O)c1ccc(C(=O)NCC(c2ccsc2)N(C)C)cc1)c1ccsc1
InChIInChI=1S/C24H30N4O2S2/c1-27(2)21(19-9-11-31-15-19)13-25-23(29)17-5-7-18(8-6-17)24(30)26-14-22(28(3)4)20-10-12-32-16-20/h5-12,15-16,21-22H,13-14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyQGKZLYLFFUSTCW-UHFFFAOYSA-N
MW470.66 g/mol
LogP3.88
Rot. Bonds10

About 1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide (PubChem CID 46592184) has the molecular formula C24H30N4O2S2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
PubChem CID46592184
Molecular FormulaC24H30N4O2S2
Molecular Weight470.66 g/mol
Exact Mass470.18
IUPAC Name1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
SMILESCN(C)C(CNC(=O)c1ccc(C(=O)NCC(c2ccsc2)N(C)C)cc1)c1ccsc1
InChIInChI=1S/C24H30N4O2S2/c1-27(2)21(19-9-11-31-15-19)13-25-23(29)17-5-7-18(8-6-17)24(30)26-14-22(28(3)4)20-10-12-32-16-20/h5-12,15-16,21-22H,13-14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyQGKZLYLFFUSTCW-UHFFFAOYSA-N
XLogP3.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 46593287
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 32630712
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 43060793
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 32631322
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 32634705
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 42953752
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32635881
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-carboxamide
CID 32630977

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide (CID 46592184) is 1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide is CN(C)C(CNC(=O)c1ccc(C(=O)NCC(c2ccsc2)N(C)C)cc1)c1ccsc1.
What is the InChIKey of 1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide?
The InChIKey is QGKZLYLFFUSTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S2/c1-27(2)21(19-9-11-31-15-19)13-25-23(29)17-5-7-18(8-6-17)24(30)26-14-22(28(3)4)20-10-12-32-16-20/h5-12,15-16,21-22H,13-14H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide has a molecular weight of 470.66 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 46592184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).