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

C19H21NO4S — CID 91631188

IUPAC3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C19H21NO4S/c21-18(10-11-25(23,24)17-8-2-1-3-9-17)20-14-19(22)12-15-6-4-5-7-16(15)13-19/h1-9,22H,10-14H2,(H,20,21)
InChIKeyCKFPMDGLLMYIHR-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.50
Rot. Bonds6

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

3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide (PubChem CID 91631188) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide
PubChem CID91631188
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C19H21NO4S/c21-18(10-11-25(23,24)17-8-2-1-3-9-17)20-14-19(22)12-15-6-4-5-7-16(15)13-19/h1-9,22H,10-14H2,(H,20,21)
InChIKeyCKFPMDGLLMYIHR-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-fluorophenyl)thio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631299
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-(phenylthio)propanamide
CID 91631297
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(methylsulfonyl)phenyl)propanamide
CID 91631322
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-((4-fluorophenyl)thio)-N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 92125317
3-(benzenesulfonyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]propanamide
CID 95376514
3-(benzenesulfonyl)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]propanamide
CID 95376515
2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide
CID 95983111
2-(4-fluorophenyl)sulfanyl-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide
CID 95983112

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide (CID 91631188) is 3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCC1(O)Cc2ccccc2C1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide?
The InChIKey is CKFPMDGLLMYIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c21-18(10-11-25(23,24)17-8-2-1-3-9-17)20-14-19(22)12-15-6-4-5-7-16(15)13-19/h1-9,22H,10-14H2,(H,20,21).
What are the key properties of 3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide?
3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide has a molecular weight of 359.45 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]propanamide is sourced from PubChem (CID 91631188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).