3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide

C22H23NO4S — CID 90524456

IUPAC3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C22H23NO4S/c24-21(20-12-6-8-17-7-4-5-11-19(17)20)13-15-23-22(25)14-16-28(26,27)18-9-2-1-3-10-18/h1-12,21,24H,13-16H2,(H,23,25)
InChIKeyNGPSIQZKAKVGCX-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.24
Rot. Bonds8

About 3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide

3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide (PubChem CID 90524456) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
PubChem CID90524456
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC Name3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C22H23NO4S/c24-21(20-12-6-8-17-7-4-5-11-19(17)20)13-15-23-22(25)14-16-28(26,27)18-9-2-1-3-10-18/h1-12,21,24H,13-16H2,(H,23,25)
InChIKeyNGPSIQZKAKVGCX-UHFFFAOYSA-N
XLogP3.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
CID 115703740
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
CID 71787908
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
CID 90524671
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide
CID 90500079
3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524496

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide (CID 90524456) is 3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCCC(O)c1cccc2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide?
The InChIKey is NGPSIQZKAKVGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c24-21(20-12-6-8-17-7-4-5-11-19(17)20)13-15-23-22(25)14-16-28(26,27)18-9-2-1-3-10-18/h1-12,21,24H,13-16H2,(H,23,25).
What are the key properties of 3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide?
3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide has a molecular weight of 397.50 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide is sourced from PubChem (CID 90524456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).