N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide

C21H22N2O5S — CID 9466214

IUPACN-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCOc1cc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc(OC)c1
InChIInChI=1S/C21H22N2O5S/c1-27-18-12-17(13-19(14-18)28-2)23-21(24)9-10-22-29(25,26)20-8-7-15-5-3-4-6-16(15)11-20/h3-8,11-14,22H,9-10H2,1-2H3,(H,23,24)
InChIKeyOKUZQPPMLHPFFR-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.16
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide

N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 9466214) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID9466214
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCOc1cc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc(OC)c1
InChIInChI=1S/C21H22N2O5S/c1-27-18-12-17(13-19(14-18)28-2)23-21(24)9-10-22-29(25,26)20-8-7-15-5-3-4-6-16(15)11-20/h3-8,11-14,22H,9-10H2,1-2H3,(H,23,24)
InChIKeyOKUZQPPMLHPFFR-UHFFFAOYSA-N
XLogP3.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 55960607
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9179638
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 32940101
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
CID 55948759
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
N-(3-fluorophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192589

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 9466214) is N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide is COc1cc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is OKUZQPPMLHPFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-27-18-12-17(13-19(14-18)28-2)23-21(24)9-10-22-29(25,26)20-8-7-15-5-3-4-6-16(15)11-20/h3-8,11-14,22H,9-10H2,1-2H3,(H,23,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 414.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 9466214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).