2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide

C19H21NO3S — CID 97240651

IUPAC2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
SMILESCC[S@@](=O)c1ccccc1C(=O)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C19H21NO3S/c1-2-24(23)17-10-6-4-8-15(17)18(21)20-13-19(22)12-11-14-7-3-5-9-16(14)19/h3-10,22H,2,11-13H2,1H3,(H,20,21)/t19-,24-/m1/s1
InChIKeyBDPAEHHYBRRZIC-NTKDMRAZSA-N
MW343.45 g/mol
LogP2.38
Rot. Bonds5

About 2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide

2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide (PubChem CID 97240651) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
PubChem CID97240651
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
SMILESCC[S@@](=O)c1ccccc1C(=O)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C19H21NO3S/c1-2-24(23)17-10-6-4-8-15(17)18(21)20-13-19(22)12-11-14-7-3-5-9-16(14)19/h3-10,22H,2,11-13H2,1H3,(H,20,21)/t19-,24-/m1/s1
InChIKeyBDPAEHHYBRRZIC-NTKDMRAZSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 95983066
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide
CID 95177159
5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 100674495
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide
CID 86972570
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylbenzamide
CID 111780826

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The IUPAC name of 2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide (CID 97240651) is 2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide.
What is the SMILES notation for 2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The canonical SMILES for 2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide is CC[S@@](=O)c1ccccc1C(=O)NC[C@]1(O)CCc2ccccc21.
What is the InChIKey of 2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The InChIKey is BDPAEHHYBRRZIC-NTKDMRAZSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-2-24(23)17-10-6-4-8-15(17)18(21)20-13-19(22)12-11-14-7-3-5-9-16(14)19/h3-10,22H,2,11-13H2,1H3,(H,20,21)/t19-,24-/m1/s1.
What are the key properties of 2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide is sourced from PubChem (CID 97240651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).