2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C19H21NO3S — CID 125178703

IUPAC2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1csc(C(C)=O)c1
InChIInChI=1S/C19H21NO3S/c1-12(21)18-8-13(11-24-18)9-19(22)20-17-5-3-4-14-10-15(23-2)6-7-16(14)17/h6-8,10-11,17H,3-5,9H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyXBPYQRSXHAMDCD-QGZVFWFLSA-N
MW343.45 g/mol
LogP3.70
Rot. Bonds5

About 2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 125178703) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID125178703
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1csc(C(C)=O)c1
InChIInChI=1S/C19H21NO3S/c1-12(21)18-8-13(11-24-18)9-19(22)20-17-5-3-4-14-10-15(23-2)6-7-16(14)17/h6-8,10-11,17H,3-5,9H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyXBPYQRSXHAMDCD-QGZVFWFLSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide with MolForge

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Related Compounds

2-(2-chlorophenyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100633564
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-morpholin-4-ylacetamide
CID 91793858
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892483
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 133230723
1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43897273
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 43901658
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 125178703) is 2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1csc(C(C)=O)c1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is XBPYQRSXHAMDCD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-12(21)18-8-13(11-24-18)9-19(22)20-17-5-3-4-14-10-15(23-2)6-7-16(14)17/h6-8,10-11,17H,3-5,9H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 125178703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).