N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide

C20H23NO2S — CID 137441325

IUPACN-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide
SMILESCCS[C@@H]1c2ccccc2C[C@H]1NC(=O)C(OC)c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-3-24-19-16-12-8-7-11-15(16)13-17(19)21-20(22)18(23-2)14-9-5-4-6-10-14/h4-12,17-19H,3,13H2,1-2H3,(H,21,22)/t17-,18?,19-/m1/s1
InChIKeyYAKUEEFVFLTAQC-ZYYFHIKCSA-N
MW341.48 g/mol
LogP3.91
Rot. Bonds6

About N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide

N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide (PubChem CID 137441325) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide
PubChem CID137441325
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide
SMILESCCS[C@@H]1c2ccccc2C[C@H]1NC(=O)C(OC)c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-3-24-19-16-12-8-7-11-15(16)13-17(19)21-20(22)18(23-2)14-9-5-4-6-10-14/h4-12,17-19H,3,13H2,1-2H3,(H,21,22)/t17-,18?,19-/m1/s1
InChIKeyYAKUEEFVFLTAQC-ZYYFHIKCSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl)-2-methoxy-2-phenylacetamide
CID 130292780
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
2-ethoxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 136518623
(1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one
CID 159876841
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide
CID 131950375
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide
CID 130292861
(2R)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylacetamide
CID 99117467
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide
CID 18646616

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide (CID 137441325) is N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide is CCS[C@@H]1c2ccccc2C[C@H]1NC(=O)C(OC)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is YAKUEEFVFLTAQC-ZYYFHIKCSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-3-24-19-16-12-8-7-11-15(16)13-17(19)21-20(22)18(23-2)14-9-5-4-6-10-14/h4-12,17-19H,3,13H2,1-2H3,(H,21,22)/t17-,18?,19-/m1/s1.
What are the key properties of N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide?
N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 341.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-ethylsulfanyl-2,3-dihydro-1H-inden-2-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 137441325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).