3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide

C20H24N2O4S — CID 91629759

IUPAC3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C20H24N2O4S/c23-19(10-14-27(24,25)18-6-2-1-3-7-18)22-20(16-8-12-26-13-9-16)17-5-4-11-21-15-17/h1-7,11,15-16,20H,8-10,12-14H2,(H,22,23)
InChIKeyMLDFITKDNGDDMB-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.53
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide

3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide (PubChem CID 91629759) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide
PubChem CID91629759
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C20H24N2O4S/c23-19(10-14-27(24,25)18-6-2-1-3-7-18)22-20(16-8-12-26-13-9-16)17-5-4-11-21-15-17/h1-7,11,15-16,20H,8-10,12-14H2,(H,22,23)
InChIKeyMLDFITKDNGDDMB-UHFFFAOYSA-N
XLogP2.53
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-N-[4-(oxan-4-ylsulfonyl)phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76336447
N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)-2-(trifluoromethyl)benzenesulfonamide
CID 91629859
2-methyl-N-(3-phenylpropyl)-2-pyridin-2-ylsulfonylpropanamide
CID 155543740
N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-2-pyridin-2-ylacetamide
CID 156022224
3-[(2-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
CID 5054987
4-phenyl-N-((1-(pyridin-3-ylsulfonyl)piperidin-4-yl)methyl)tetrahydro-2H-pyran-4-carboxamide
CID 71786666
3-(phenylsulfonyl)-N-((1-(pyridin-4-yl)piperidin-4-yl)methyl)propanamide
CID 86263582
N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)thiophene-3-carboxamide
CID 91629732
4-methyl-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)thiophene-2-carboxamide
CID 91629735
1-(methylsulfonyl)-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)piperidine-4-carboxamide
CID 91629757
4-(morpholinosulfonyl)-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 91629762
2-(cyclopentylthio)-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)acetamide
CID 91629793

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide (CID 91629759) is 3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NC(c1cccnc1)C1CCOCC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide?
The InChIKey is MLDFITKDNGDDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c23-19(10-14-27(24,25)18-6-2-1-3-7-18)22-20(16-8-12-26-13-9-16)17-5-4-11-21-15-17/h1-7,11,15-16,20H,8-10,12-14H2,(H,22,23).
What are the key properties of 3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide?
3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide has a molecular weight of 388.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide is sourced from PubChem (CID 91629759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).