N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide

C19H21NO2S — CID 95983109

IUPACN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C19H21NO2S/c21-18(11-13-23-16-7-2-1-3-8-16)20-14-19(22)12-10-15-6-4-5-9-17(15)19/h1-9,22H,10-14H2,(H,20,21)/t19-/m1/s1
InChIKeyMVKOMELCRYWNBY-LJQANCHMSA-N
MW327.45 g/mol
LogP3.12
Rot. Bonds6

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

N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide (PubChem CID 95983109) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide
PubChem CID95983109
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C19H21NO2S/c21-18(11-13-23-16-7-2-1-3-8-16)20-14-19(22)12-10-15-6-4-5-9-17(15)19/h1-9,22H,10-14H2,(H,20,21)/t19-/m1/s1
InChIKeyMVKOMELCRYWNBY-LJQANCHMSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
CID 90499010
3-(benzenesulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]propanamide
CID 95983137
1-[(3-phenylsulfanylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 120544551
4-[(3-phenylsulfanylpropanoylamino)methyl]oxane-4-carboxylic acid
CID 120542743
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
CID 71782153
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-phenylsulfanylbutanamide
CID 80717229
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide
CID 111110506
N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 51076427
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]adamantane-1-carboxamide
CID 90499031
1-(3-phenylsulfanylpropanoylamino)cyclopropane-1-carboxylic acid
CID 65453250
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide
CID 122138174

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide (CID 95983109) is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NC[C@]1(O)CCc2ccccc21.
What is the InChIKey of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide?
The InChIKey is MVKOMELCRYWNBY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21NO2S/c21-18(11-13-23-16-7-2-1-3-8-16)20-14-19(22)12-10-15-6-4-5-9-17(15)19/h1-9,22H,10-14H2,(H,20,21)/t19-/m1/s1.
What are the key properties of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide?
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide has a molecular weight of 327.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 95983109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).