3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide

C23H26N2O3S — CID 46522158

IUPAC3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide
SMILESCC(CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O3S/c1-18(11-12-19-7-3-2-4-8-19)25-23(26)15-16-24-29(27,28)22-14-13-20-9-5-6-10-21(20)17-22/h2-10,13-14,17-18,24H,11-12,15-16H2,1H3,(H,25,26)
InChIKeyIIQBSRFJSCAACC-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.65
Rot. Bonds9

About 3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide

3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide (PubChem CID 46522158) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide
PubChem CID46522158
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide
SMILESCC(CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O3S/c1-18(11-12-19-7-3-2-4-8-19)25-23(26)15-16-24-29(27,28)22-14-13-20-9-5-6-10-21(20)17-22/h2-10,13-14,17-18,24H,11-12,15-16H2,1H3,(H,25,26)
InChIKeyIIQBSRFJSCAACC-UHFFFAOYSA-N
XLogP3.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
CID 17225917
(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
CID 119238107
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
N-[2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 78819744
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 8937497
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16565170
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-[2-(2-methylphenyl)ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 17486148
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide?
The IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide (CID 46522158) is 3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide?
The canonical SMILES for 3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide is CC(CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide?
The InChIKey is IIQBSRFJSCAACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-18(11-12-19-7-3-2-4-8-19)25-23(26)15-16-24-29(27,28)22-14-13-20-9-5-6-10-21(20)17-22/h2-10,13-14,17-18,24H,11-12,15-16H2,1H3,(H,25,26).
What are the key properties of 3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide?
3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide has a molecular weight of 410.54 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide is sourced from PubChem (CID 46522158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).