(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide

C23H31NO2S — CID 155534190

IUPAC(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCCOc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)NCc1cccs1)CC2
InChIInChI=1S/C23H31NO2S/c1-5-10-26-22-12-15(2)20-9-8-18(13-21(20)17(22)4)16(3)23(25)24-14-19-7-6-11-27-19/h6-7,11-12,16,18H,5,8-10,13-14H2,1-4H3,(H,24,25)/t16-,18-/m1/s1
InChIKeyHLKURQSOUCZTNK-SJLPKXTDSA-N
MW385.57 g/mol
LogP5.21
Rot. Bonds7

About (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide

(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 155534190) has the molecular formula C23H31NO2S and a molecular weight of 385.57 g/mol. Its IUPAC name is (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID155534190
Molecular FormulaC23H31NO2S
Molecular Weight385.57 g/mol
Exact Mass385.21
IUPAC Name(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCCOc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)NCc1cccs1)CC2
InChIInChI=1S/C23H31NO2S/c1-5-10-26-22-12-15(2)20-9-8-18(13-21(20)17(22)4)16(3)23(25)24-14-19-7-6-11-27-19/h6-7,11-12,16,18H,5,8-10,13-14H2,1-4H3,(H,24,25)/t16-,18-/m1/s1
InChIKeyHLKURQSOUCZTNK-SJLPKXTDSA-N
XLogP5.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.57
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 155534190) is (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide is CCCOc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)NCc1cccs1)CC2.
What is the InChIKey of (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is HLKURQSOUCZTNK-SJLPKXTDSA-N. The full InChI is InChI=1S/C23H31NO2S/c1-5-10-26-22-12-15(2)20-9-8-18(13-21(20)17(22)4)16(3)23(25)24-14-19-7-6-11-27-19/h6-7,11-12,16,18H,5,8-10,13-14H2,1-4H3,(H,24,25)/t16-,18-/m1/s1.
What are the key properties of (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 385.57 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 155534190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).