N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide

C24H26N2OS — CID 22251615

IUPACN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide
SMILESCN(C)CC1CCc2cc(NC(=O)c3ccc(-c4cccs4)cc3)ccc2C1
InChIInChI=1S/C24H26N2OS/c1-26(2)16-17-5-6-21-15-22(12-11-20(21)14-17)25-24(27)19-9-7-18(8-10-19)23-4-3-13-28-23/h3-4,7-13,15,17H,5-6,14,16H2,1-2H3,(H,25,27)
InChIKeyGGIANDAVIGZIIL-UHFFFAOYSA-N
MW390.55 g/mol
LogP5.33
Rot. Bonds5

About N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide

N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide (PubChem CID 22251615) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide
PubChem CID22251615
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC NameN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide
SMILESCN(C)CC1CCc2cc(NC(=O)c3ccc(-c4cccs4)cc3)ccc2C1
InChIInChI=1S/C24H26N2OS/c1-26(2)16-17-5-6-21-15-22(12-11-20(21)14-17)25-24(27)19-9-7-18(8-10-19)23-4-3-13-28-23/h3-4,7-13,15,17H,5-6,14,16H2,1-2H3,(H,25,27)
InChIKeyGGIANDAVIGZIIL-UHFFFAOYSA-N
XLogP5.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide?
The IUPAC name of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide (CID 22251615) is N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide is CN(C)CC1CCc2cc(NC(=O)c3ccc(-c4cccs4)cc3)ccc2C1.
What is the InChIKey of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide?
The InChIKey is GGIANDAVIGZIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-26(2)16-17-5-6-21-15-22(12-11-20(21)14-17)25-24(27)19-9-7-18(8-10-19)23-4-3-13-28-23/h3-4,7-13,15,17H,5-6,14,16H2,1-2H3,(H,25,27).
What are the key properties of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide?
N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide has a molecular weight of 390.55 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 22251615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).