2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

C23H31N3O5S2 — CID 28561315

IUPAC2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-32(28,29)26(17-14-20-8-4-2-5-9-20)19-23(27)24-18-21-10-12-22(13-11-21)33(30,31)25-15-6-3-7-16-25/h2,4-5,8-13H,3,6-7,14-19H2,1H3,(H,24,27)
InChIKeyHHSYYBOQCSJPPF-UHFFFAOYSA-N
MW493.65 g/mol
LogP1.98
Rot. Bonds10

About 2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (PubChem CID 28561315) has the molecular formula C23H31N3O5S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is 2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
PubChem CID28561315
Molecular FormulaC23H31N3O5S2
Molecular Weight493.65 g/mol
Exact Mass493.17
IUPAC Name2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-32(28,29)26(17-14-20-8-4-2-5-9-20)19-23(27)24-18-21-10-12-22(13-11-21)33(30,31)25-15-6-3-7-16-25/h2,4-5,8-13H,3,6-7,14-19H2,1H3,(H,24,27)
InChIKeyHHSYYBOQCSJPPF-UHFFFAOYSA-N
XLogP1.98
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874368
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874397
2-[methylsulfonyl(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 963773
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874695
2-[benzenesulfonyl(benzyl)amino]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100799790
2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874647
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
2-methyl-1-(2-phenylethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111136326
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
N-[(2-fluorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151835

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (CID 28561315) is 2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is HHSYYBOQCSJPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S2/c1-32(28,29)26(17-14-20-8-4-2-5-9-20)19-23(27)24-18-21-10-12-22(13-11-21)33(30,31)25-15-6-3-7-16-25/h2,4-5,8-13H,3,6-7,14-19H2,1H3,(H,24,27).
What are the key properties of 2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 493.65 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(2-phenylethyl)amino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 28561315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).