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

C19H21NO4S — CID 69089444

IUPACN-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1
InChIInChI=1S/C19H21NO4S/c1-2-19(21)20-13-15-10-8-14-9-11-17(12-18(14)24-15)25(22,23)16-6-4-3-5-7-16/h3-7,9,11-12,15H,2,8,10,13H2,1H3,(H,20,21)
InChIKeyMZAVGTBSNBCUKT-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.74
Rot. Bonds5

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

N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide (PubChem CID 69089444) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide
PubChem CID69089444
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC NameN-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1
InChIInChI=1S/C19H21NO4S/c1-2-19(21)20-13-15-10-8-14-9-11-17(12-18(14)24-15)25(22,23)16-6-4-3-5-7-16/h3-7,9,11-12,15H,2,8,10,13H2,1H3,(H,20,21)
InChIKeyMZAVGTBSNBCUKT-UHFFFAOYSA-N
XLogP2.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-hydroxypropanamide
CID 69089058
2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-methylacetamide
CID 66917439
(2R)-2-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]propanamide
CID 69089871
[(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
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 134128099
N-methyl-N-[[(2S)-7-methylsulfonyl-3,4-dihydro-2H-chromen-2-yl]methyl]ethanamine
CID 129384674

Frequently Asked Questions

What is the IUPAC name of N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide?
The IUPAC name of N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide (CID 69089444) is N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide?
The canonical SMILES for N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide is CCC(=O)NCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1.
What is the InChIKey of N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide?
The InChIKey is MZAVGTBSNBCUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-2-19(21)20-13-15-10-8-14-9-11-17(12-18(14)24-15)25(22,23)16-6-4-3-5-7-16/h3-7,9,11-12,15H,2,8,10,13H2,1H3,(H,20,21).
What are the key properties of N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide?
N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide has a molecular weight of 359.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide is sourced from PubChem (CID 69089444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).