N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C22H27N3O5S — CID 55566421

IUPACN-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O5S/c1-30-16-22(27)24-19-7-5-6-18(15-19)23-21(26)14-17-8-10-20(11-9-17)31(28,29)25-12-3-2-4-13-25/h5-11,15H,2-4,12-14,16H2,1H3,(H,23,26)(H,24,27)
InChIKeyXOYNYLFJZCDHHG-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.63
Rot. Bonds8

About N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 55566421) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID55566421
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O5S/c1-30-16-22(27)24-19-7-5-6-18(15-19)23-21(26)14-17-8-10-20(11-9-17)31(28,29)25-12-3-2-4-13-25/h5-11,15H,2-4,12-14,16H2,1H3,(H,23,26)(H,24,27)
InChIKeyXOYNYLFJZCDHHG-UHFFFAOYSA-N
XLogP2.63
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
N-(3-chlorophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900052
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
methyl 2-[4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]acetate
CID 26054421
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55825158
2-(3,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1306204
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55748941
2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 41484524
N-[3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethoxy]phenyl]propanamide
CID 18870292
N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 55566421) is N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is COCC(=O)Nc1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is XOYNYLFJZCDHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-30-16-22(27)24-19-7-5-6-18(15-19)23-21(26)14-17-8-10-20(11-9-17)31(28,29)25-12-3-2-4-13-25/h5-11,15H,2-4,12-14,16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 445.54 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55566421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).