N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide

C23H25NO3S — CID 55884732

IUPACN-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide
SMILESO=C(CCc1ccc2ccccc2c1)NCCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C23H25NO3S/c25-23(14-12-19-11-13-21-9-4-5-10-22(21)17-19)24-15-6-16-28(26,27)18-20-7-2-1-3-8-20/h1-5,7-11,13,17H,6,12,14-16,18H2,(H,24,25)
InChIKeyIIYNHNANCWWMHF-UHFFFAOYSA-N
MW395.52 g/mol
LogP3.89
Rot. Bonds9

About N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide

N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide (PubChem CID 55884732) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide
PubChem CID55884732
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC NameN-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide
SMILESO=C(CCc1ccc2ccccc2c1)NCCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C23H25NO3S/c25-23(14-12-19-11-13-21-9-4-5-10-22(21)17-19)24-15-6-16-28(26,27)18-20-7-2-1-3-8-20/h1-5,7-11,13,17H,6,12,14-16,18H2,(H,24,25)
InChIKeyIIYNHNANCWWMHF-UHFFFAOYSA-N
XLogP3.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55842190
[2-(3-benzylsulfonylpropylamino)-2-oxoethyl] acetate
CID 166191912
N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide
CID 55663765
N-(3-benzylsulfonylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55663640
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide
CID 119950005
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N-(3-benzylsulfonylpropyl)-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 55843117
N-(3-benzylsulfonylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 55663482
N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
CID 87319954
7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
CID 119732863
N-(3-benzylsulfonylpropyl)-4-phenylbenzamide
CID 55842064

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide?
The IUPAC name of N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide (CID 55884732) is N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide?
The canonical SMILES for N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide is O=C(CCc1ccc2ccccc2c1)NCCCS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide?
The InChIKey is IIYNHNANCWWMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3S/c25-23(14-12-19-11-13-21-9-4-5-10-22(21)17-19)24-15-6-16-28(26,27)18-20-7-2-1-3-8-20/h1-5,7-11,13,17H,6,12,14-16,18H2,(H,24,25).
What are the key properties of N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide?
N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide has a molecular weight of 395.52 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfonylpropyl)-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 55884732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).