2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide

C21H27NO2S — CID 3385224

IUPAC2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1cc(C)c2c(c1C)CC(C(C)C(=O)NCc1cccs1)CC2
InChIInChI=1S/C21H27NO2S/c1-13-10-20(24-4)15(3)19-11-16(7-8-18(13)19)14(2)21(23)22-12-17-6-5-9-25-17/h5-6,9-10,14,16H,7-8,11-12H2,1-4H3,(H,22,23)
InChIKeyFHJGAJDXEJUKBD-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.43
Rot. Bonds5

About 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide

2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 3385224) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID3385224
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1cc(C)c2c(c1C)CC(C(C)C(=O)NCc1cccs1)CC2
InChIInChI=1S/C21H27NO2S/c1-13-10-20(24-4)15(3)19-11-16(7-8-18(13)19)14(2)21(23)22-12-17-6-5-9-25-17/h5-6,9-10,14,16H,7-8,11-12H2,1-4H3,(H,22,23)
InChIKeyFHJGAJDXEJUKBD-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 3385224) is 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide is COc1cc(C)c2c(c1C)CC(C(C)C(=O)NCc1cccs1)CC2.
What is the InChIKey of 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is FHJGAJDXEJUKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-13-10-20(24-4)15(3)19-11-16(7-8-18(13)19)14(2)21(23)22-12-17-6-5-9-25-17/h5-6,9-10,14,16H,7-8,11-12H2,1-4H3,(H,22,23).
What are the key properties of 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 357.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 3385224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).