N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

C22H24N2O5S — CID 55960607

IUPACN-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCOCCOc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H24N2O5S/c1-28-13-14-29-20-8-4-7-19(16-20)24-22(25)11-12-23-30(26,27)21-10-9-17-5-2-3-6-18(17)15-21/h2-10,15-16,23H,11-14H2,1H3,(H,24,25)
InChIKeyHOTMKDLUJXTOOQ-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.17
Rot. Bonds10

About N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 55960607) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID55960607
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCOCCOc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H24N2O5S/c1-28-13-14-29-20-8-4-7-19(16-20)24-22(25)11-12-23-30(26,27)21-10-9-17-5-2-3-6-18(17)15-21/h2-10,15-16,23H,11-14H2,1H3,(H,24,25)
InChIKeyHOTMKDLUJXTOOQ-UHFFFAOYSA-N
XLogP3.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 32940101
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9179638
2-(3-bromophenoxy)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516041
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
CID 55948759
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24535951
N-(3-fluorophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192589
2-(2,6-dimethylphenoxy)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516055

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 55960607) is N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is COCCOc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is HOTMKDLUJXTOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-28-13-14-29-20-8-4-7-19(16-20)24-22(25)11-12-23-30(26,27)21-10-9-17-5-2-3-6-18(17)15-21/h2-10,15-16,23H,11-14H2,1H3,(H,24,25).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 428.51 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55960607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).