N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

C24H29NO2S — CID 86963458

IUPACN-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CCc2ccccc21)Nc1cccc(CS(=O)C2CCCCC2)c1
InChIInChI=1S/C24H29NO2S/c26-24(16-20-14-13-19-8-4-5-12-23(19)20)25-21-9-6-7-18(15-21)17-28(27)22-10-2-1-3-11-22/h4-9,12,15,20,22H,1-3,10-11,13-14,16-17H2,(H,25,26)
InChIKeyHAPWNDIDVFTKLA-UHFFFAOYSA-N
MW395.57 g/mol
LogP5.33
Rot. Bonds6

About N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 86963458) has the molecular formula C24H29NO2S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID86963458
Molecular FormulaC24H29NO2S
Molecular Weight395.57 g/mol
Exact Mass395.19
IUPAC NameN-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CCc2ccccc21)Nc1cccc(CS(=O)C2CCCCC2)c1
InChIInChI=1S/C24H29NO2S/c26-24(16-20-14-13-19-8-4-5-12-23(19)20)25-21-9-6-7-18(15-21)17-28(27)22-10-2-1-3-11-22/h4-9,12,15,20,22H,1-3,10-11,13-14,16-17H2,(H,25,26)
InChIKeyHAPWNDIDVFTKLA-UHFFFAOYSA-N
XLogP5.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-(3-fluorophenyl)acetamide
CID 86955213
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
CID 119327228
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7332974
N-[3-(cyclohexylsulfinylmethyl)phenyl]prop-2-enamide
CID 166405123
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide
CID 119327208
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86963463
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119327223
N-[3-(cyclohexylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119789972
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 91642928
1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea
CID 95980460
N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955324
N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955794

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide (CID 86963458) is N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide is O=C(CC1CCc2ccccc21)Nc1cccc(CS(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is HAPWNDIDVFTKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2S/c26-24(16-20-14-13-19-8-4-5-12-23(19)20)25-21-9-6-7-18(15-21)17-28(27)22-10-2-1-3-11-22/h4-9,12,15,20,22H,1-3,10-11,13-14,16-17H2,(H,25,26).
What are the key properties of N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 395.57 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 86963458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).