2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide

C21H21N3O4S — CID 38667056

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(OCc2ccccn2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21N3O4S/c1-24(29(26,27)20-11-3-2-4-12-20)15-21(25)23-17-9-7-10-19(14-17)28-16-18-8-5-6-13-22-18/h2-14H,15-16H2,1H3,(H,23,25)
InChIKeyVEUZKTMVSBFNFT-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.92
Rot. Bonds8

About 2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide (PubChem CID 38667056) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
PubChem CID38667056
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(OCc2ccccn2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21N3O4S/c1-24(29(26,27)20-11-3-2-4-12-20)15-21(25)23-17-9-7-10-19(14-17)28-16-18-8-5-6-13-22-18/h2-14H,15-16H2,1H3,(H,23,25)
InChIKeyVEUZKTMVSBFNFT-UHFFFAOYSA-N
XLogP2.92
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
CID 55653561
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 55709444
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380
(2S)-2-hydroxy-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 75514519
2-cyclohexyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38671683
4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33499844
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 34055693
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide (CID 38667056) is 2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide is CN(CC(=O)Nc1cccc(OCc2ccccn2)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
The InChIKey is VEUZKTMVSBFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-24(29(26,27)20-11-3-2-4-12-20)15-21(25)23-17-9-7-10-19(14-17)28-16-18-8-5-6-13-22-18/h2-14H,15-16H2,1H3,(H,23,25).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide has a molecular weight of 411.48 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 38667056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).