N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C21H25NO4S — CID 71782173

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCC2(O)CCc3ccccc32)cc1
InChIInChI=1S/C21H25NO4S/c1-15(2)27(25,26)18-9-7-16(8-10-18)13-20(23)22-14-21(24)12-11-17-5-3-4-6-19(17)21/h3-10,15,24H,11-14H2,1-2H3,(H,22,23)
InChIKeySDIGMNGZIZOSRU-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.36
Rot. Bonds6

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 71782173) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID71782173
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCC2(O)CCc3ccccc32)cc1
InChIInChI=1S/C21H25NO4S/c1-15(2)27(25,26)18-9-7-16(8-10-18)13-20(23)22-14-21(24)12-11-17-5-3-4-6-19(17)21/h3-10,15,24H,11-14H2,1-2H3,(H,22,23)
InChIKeySDIGMNGZIZOSRU-UHFFFAOYSA-N
XLogP2.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 56765470
N-{[(S)-1-hydroxy-1-indanyl]methyl}o-(difluoromethylsulfonyl)benzamide
CID 99873856
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-(phenylthio)propanamide
CID 71782151
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 71782165
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(methylsulfonyl)phenyl)propanamide
CID 91631322
N-[(R)-2-methoxy-2-phenylbutyl][p-(isopropylsulfonyl)phenyl]acetamide
CID 97428604
N-{[(S)-1-hydroxy-1-indanyl]methyl}(3-thienyl)acetamide
CID 99708335
3-(benzenesulfonyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781987
2-((4-fluorophenyl)thio)-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)acetamide
CID 71782152
2-((difluoromethyl)sulfonyl)-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)benzamide
CID 76147731

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 71782173) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCC2(O)CCc3ccccc32)cc1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is SDIGMNGZIZOSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-15(2)27(25,26)18-9-7-16(8-10-18)13-20(23)22-14-21(24)12-11-17-5-3-4-6-19(17)21/h3-10,15,24H,11-14H2,1-2H3,(H,22,23).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 387.50 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 71782173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).