2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H22N2O4S — CID 1013950

IUPAC2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H22N2O4S/c25-22(16-28-21-9-5-7-17-6-1-2-8-20(17)21)23-18-10-12-19(13-11-18)29(26,27)24-14-3-4-15-24/h1-2,5-13H,3-4,14-16H2,(H,23,25)
InChIKeyJZZKQMZKSGFUTL-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.64
Rot. Bonds6

About 2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1013950) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID1013950
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H22N2O4S/c25-22(16-28-21-9-5-7-17-6-1-2-8-20(17)21)23-18-10-12-19(13-11-18)29(26,27)24-14-3-4-15-24/h1-2,5-13H,3-4,14-16H2,(H,23,25)
InChIKeyJZZKQMZKSGFUTL-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3393487
2-(2-phenylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 26252662
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3393539
2-(2,6-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2212028
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1015338
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
2-naphthalen-1-yloxy-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 3312862
2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9082352
N-[3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethoxy]phenyl]propanamide
CID 18870292
2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 7595381
2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2565697
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,3-dimethoxybenzoate
CID 42962825

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 1013950) is 2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(COc1cccc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is JZZKQMZKSGFUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c25-22(16-28-21-9-5-7-17-6-1-2-8-20(17)21)23-18-10-12-19(13-11-18)29(26,27)24-14-3-4-15-24/h1-2,5-13H,3-4,14-16H2,(H,23,25).
What are the key properties of 2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1013950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).