2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C22H27N3O5S — CID 21367678

IUPAC2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCN(Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H27N3O5S/c1-24(31(2,28)29)15-17-9-11-18(12-10-17)30-16-21(26)23-20-8-4-3-7-19(20)22(27)25-13-5-6-14-25/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,23,26)
InChIKeyGEPHZNGFNDLDEB-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.33
Rot. Bonds8

About 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 21367678) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID21367678
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCN(Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H27N3O5S/c1-24(31(2,28)29)15-17-9-11-18(12-10-17)30-16-21(26)23-20-8-4-3-7-19(20)22(27)25-13-5-6-14-25/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,23,26)
InChIKeyGEPHZNGFNDLDEB-UHFFFAOYSA-N
XLogP2.33
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1076398
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 21368377
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
CID 7126525
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 55770978
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4937891

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 21367678) is 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is CN(Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is GEPHZNGFNDLDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-24(31(2,28)29)15-17-9-11-18(12-10-17)30-16-21(26)23-20-8-4-3-7-19(20)22(27)25-13-5-6-14-25/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 21367678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).