N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide

C23H23NO2S — CID 42627882

IUPACN-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H23NO2S/c25-22(15-19-10-6-14-27-19)24-23-20-11-5-4-9-18(20)12-13-21(23)26-16-17-7-2-1-3-8-17/h1-11,14,21,23H,12-13,15-16H2,(H,24,25)/t21-,23+/m0/s1
InChIKeyCPLPVGSCSXWZNX-JTHBVZDNSA-N
MW377.51 g/mol
LogP4.68
Rot. Bonds6

About N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide

N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide (PubChem CID 42627882) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide
PubChem CID42627882
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H23NO2S/c25-22(15-19-10-6-14-27-19)24-23-20-11-5-4-9-18(20)12-13-21(23)26-16-17-7-2-1-3-8-17/h1-11,14,21,23H,12-13,15-16H2,(H,24,25)/t21-,23+/m0/s1
InChIKeyCPLPVGSCSXWZNX-JTHBVZDNSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide
CID 42627883
2-phenyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627899
1-oxo-N-[phenyl(thiophen-2-yl)methyl]-3,4-dihydroisochromene-3-carboxamide
CID 17511711
N-(2-methoxy-2-(o-tolyl)ethyl)-2-(thiophen-2-yl)acetamide
CID 71810462
N-[(R)-2-methoxy-2-(o-tolyl)ethyl](3-thienyl)acetamide
CID 97417754
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3-methylthiophene-2-carboxylate
CID 7837678
[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3-methylthiophene-2-carboxylate
CID 7837679
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3-methylthiophene-2-carboxylate
CID 7837680
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3-methylthiophene-2-carboxylate
CID 7837681
3-(difluoromethylsulfanyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]thiophene-2-carboxamide
CID 86948452
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(4-fluorophenyl)thiophene-2-carboxamide
CID 154837226
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] thiophene-2-carboxylate
CID 2377528

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide (CID 42627882) is N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1.
What is the InChIKey of N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide?
The InChIKey is CPLPVGSCSXWZNX-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H23NO2S/c25-22(15-19-10-6-14-27-19)24-23-20-11-5-4-9-18(20)12-13-21(23)26-16-17-7-2-1-3-8-17/h1-11,14,21,23H,12-13,15-16H2,(H,24,25)/t21-,23+/m0/s1.
What are the key properties of N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide?
N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide has a molecular weight of 377.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42627882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).