N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide

C19H21NO5S — CID 69089058

IUPACN-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1
InChIInChI=1S/C19H21NO5S/c1-13(21)19(22)20-12-15-9-7-14-8-10-17(11-18(14)25-15)26(23,24)16-5-3-2-4-6-16/h2-6,8,10-11,13,15,21H,7,9,12H2,1H3,(H,20,22)
InChIKeyIYVOCZOQBORVFG-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.71
Rot. Bonds5

About N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide

N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide (PubChem CID 69089058) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide
PubChem CID69089058
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC NameN-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1
InChIInChI=1S/C19H21NO5S/c1-13(21)19(22)20-12-15-9-7-14-8-10-17(11-18(14)25-15)26(23,24)16-5-3-2-4-6-16/h2-6,8,10-11,13,15,21H,7,9,12H2,1H3,(H,20,22)
InChIKeyIYVOCZOQBORVFG-UHFFFAOYSA-N
XLogP1.71
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide
CID 69089444
(2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide
CID 69089871
2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-methylacetamide
CID 66917439
[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 58869146
1-[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate
CID 160998692
N-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methyl]propane-2-sulfonamide
CID 58869159
(3R)-1-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]pyrrolidin-3-ol
CID 66917412
2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide
CID 58869133
2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]ethanol
CID 58869142
2-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonic acid
CID 87712639
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 77082448
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 134128099

Frequently Asked Questions

What is the IUPAC name of N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide?
The IUPAC name of N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide (CID 69089058) is N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide?
The canonical SMILES for N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide is CC(O)C(=O)NCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1.
What is the InChIKey of N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide?
The InChIKey is IYVOCZOQBORVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-13(21)19(22)20-12-15-9-7-14-8-10-17(11-18(14)25-15)26(23,24)16-5-3-2-4-6-16/h2-6,8,10-11,13,15,21H,7,9,12H2,1H3,(H,20,22).
What are the key properties of N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide?
N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide has a molecular weight of 375.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 69089058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).