3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide

C23H28ClN3O4S — CID 42962683

IUPAC3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1Cl
InChIInChI=1S/C23H28ClN3O4S/c1-16-10-11-18(32(30,31)27-12-6-3-7-13-27)14-21(16)26-23(29)15-22(25-17(2)28)19-8-4-5-9-20(19)24/h4-5,8-11,14,22H,3,6-7,12-13,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyPVBCTKPJZNFDFX-UHFFFAOYSA-N
MW478.01 g/mol
LogP4.03
Rot. Bonds7

About 3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide

3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 42962683) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID42962683
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1Cl
InChIInChI=1S/C23H28ClN3O4S/c1-16-10-11-18(32(30,31)27-12-6-3-7-13-27)14-21(16)26-23(29)15-22(25-17(2)28)19-8-4-5-9-20(19)24/h4-5,8-11,14,22H,3,6-7,12-13,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyPVBCTKPJZNFDFX-UHFFFAOYSA-N
XLogP4.03
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78821635
2-(4-ethoxyphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546031
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
(3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2094762
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26775491
2-(cyclopentylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4135329
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55811232
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 26012066
3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide
CID 42920159
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide (CID 42962683) is 3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide is CC(=O)NC(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1Cl.
What is the InChIKey of 3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is PVBCTKPJZNFDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-16-10-11-18(32(30,31)27-12-6-3-7-13-27)14-21(16)26-23(29)15-22(25-17(2)28)19-8-4-5-9-20(19)24/h4-5,8-11,14,22H,3,6-7,12-13,15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide?
3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 478.01 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 42962683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).