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

C21H27NO2S — CID 71161328

IUPAC2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1cc(C)c2c(c1C)C[C@H](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)/t14?,16-/m1/s1
InChIKeyFHJGAJDXEJUKBD-BZSJEYESSA-N
MW357.52 g/mol
LogP4.43
Rot. Bonds5

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

2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 71161328) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID71161328
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1cc(C)c2c(c1C)C[C@H](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)/t14?,16-/m1/s1
InChIKeyFHJGAJDXEJUKBD-BZSJEYESSA-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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Related Compounds

2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2124830
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide
CID 4883071
trans-(1S,2S)-2-[[4-(2-methoxyphenyl)phenyl]methylamino]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
CID 44391682
N-cyclopropyl-4-methyl-3-(4-oxo-2-(thiophen-2-yl)-4H-chromen-7-yl)benzamide
CID 44580533
N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide
CID 4781252
N-[1-(3-methoxyphenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 6465287
trans-(1S,2S)-N-[(1R)-1-[4-(4-ethylphenyl)-2-methoxyphenyl]-2-hydroxyethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 51348223
(1S,2S)-2-Thiophen-2-yl-cyclopropanecarboxylic acid [(R)-2-hydroxy-1-(3-methoxy-4'-methyl-biphenyl-4-yl)-ethyl]-amide
CID 51348668
(1S,2S)-2-Thiophen-2-yl-cyclopropanecarboxylic acid {(R)-2-amino-1-[2-methyl-4-((S)-2-methyl-butoxy)-phenyl]-ethyl}-amide
CID 58459803
2-Thiophenecarboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071645
2-Methoxy-N-(2-thienylmethyl)-4,6-bis(trifluoromethyl)benzamide
CID 2741304
2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 3385224

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 71161328) is 2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide is COc1cc(C)c2c(c1C)C[C@H](C(C)C(=O)NCc1cccs1)CC2.
What is the InChIKey of 2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is FHJGAJDXEJUKBD-BZSJEYESSA-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)/t14?,16-/m1/s1.
What are the key properties of 2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
2-[(2R)-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-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 71161328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).