N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

C23H25N3O5S — CID 32940101

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCCNC(=O)COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O5S/c1-2-24-23(28)16-31-20-10-8-19(9-11-20)26-22(27)13-14-25-32(29,30)21-12-7-17-5-3-4-6-18(17)15-21/h3-12,15,25H,2,13-14,16H2,1H3,(H,24,28)(H,26,27)
InChIKeyVOVQYECVHJBDJN-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.66
Rot. Bonds10

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 32940101) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID32940101
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCCNC(=O)COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O5S/c1-2-24-23(28)16-31-20-10-8-19(9-11-20)26-22(27)13-14-25-32(29,30)21-12-7-17-5-3-4-6-18(17)15-21/h3-12,15,25H,2,13-14,16H2,1H3,(H,24,28)(H,26,27)
InChIKeyVOVQYECVHJBDJN-UHFFFAOYSA-N
XLogP2.66
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9179638
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
CID 55948759
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214
2-naphthalen-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5169529
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16556432
N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 55960607
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
N-ethyl-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 2223893
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 55977009

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 32940101) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is CCNC(=O)COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is VOVQYECVHJBDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-2-24-23(28)16-31-20-10-8-19(9-11-20)26-22(27)13-14-25-32(29,30)21-12-7-17-5-3-4-6-18(17)15-21/h3-12,15,25H,2,13-14,16H2,1H3,(H,24,28)(H,26,27).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 455.54 g/mol, XLogP of 2.66, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 32940101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).