N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide

C21H23NO4S — CID 86868872

IUPACN-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H23NO4S/c1-2-26-20-10-6-5-8-17(20)12-14-21(23)22-27(24,25)19-13-11-16-7-3-4-9-18(16)15-19/h3-10,15H,2,11-14H2,1H3,(H,22,23)
InChIKeyVEDPIOOOWCNTHM-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.45
Rot. Bonds7

About N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide

N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide (PubChem CID 86868872) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide
PubChem CID86868872
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC NameN-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H23NO4S/c1-2-26-20-10-6-5-8-17(20)12-14-21(23)22-27(24,25)19-13-11-16-7-3-4-9-18(16)15-19/h3-10,15H,2,11-14H2,1H3,(H,22,23)
InChIKeyVEDPIOOOWCNTHM-UHFFFAOYSA-N
XLogP3.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 87011276
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N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide
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CID 43170647
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
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CID 78805149
2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 43171627
3-(2-ethoxyphenyl)-N-prop-2-enylpropanamide
CID 60659508
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CID 83029751

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide (CID 86868872) is N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1CCC(=O)NS(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide?
The InChIKey is VEDPIOOOWCNTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-2-26-20-10-6-5-8-17(20)12-14-21(23)22-27(24,25)19-13-11-16-7-3-4-9-18(16)15-19/h3-10,15H,2,11-14H2,1H3,(H,22,23).
What are the key properties of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide?
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide has a molecular weight of 385.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 86868872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).