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

C19H21NO2S — CID 71782151

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC1(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)
InChIKeyMVKOMELCRYWNBY-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.12
Rot. Bonds6

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

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide (PubChem CID 71782151) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide
PubChem CID71782151
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC1(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)
InChIKeyMVKOMELCRYWNBY-UHFFFAOYSA-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

3-(phenylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781979
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-((4-fluorophenyl)thio)acetamide
CID 71788774
2-((4-fluorophenyl)thio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631299
N-(2-hydroxy-2-phenylpropyl)-2-(4-(isopropylthio)phenyl)acetamide
CID 56765368
N-[(1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl]-2-(methylsulfanyl)benzamide
CID 71782139
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 71782165
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)cyclohex-3-enecarboxamide
CID 71796723
2-(cyclopentylthio)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
CID 71806388
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(phenylthio)propanamide
CID 91631297
N-{[(S)-1-hydroxy-1-indanyl]methyl}1-(2-thienyl)cyclopentanecarboxamide
CID 95983130
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl](cyclopentylthio)acetamide
CID 97355082
N-{[(S)-1-hydroxy-1-indanyl]methyl}(cyclopentylthio)acetamide
CID 97355126

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide (CID 71782151) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCC1(O)CCc2ccccc21.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide?
The InChIKey is MVKOMELCRYWNBY-UHFFFAOYSA-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).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide?
N-[(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-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 71782151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).