N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide

C21H27N3O3S — CID 42996600

IUPACN-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCCc1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H27N3O3S/c1-2-17-8-6-10-19(14-17)23-21(25)16-22-18-9-7-11-20(15-18)28(26,27)24-12-4-3-5-13-24/h6-11,14-15,22H,2-5,12-13,16H2,1H3,(H,23,25)
InChIKeyZTDIVMVTMZTKRH-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.47
Rot. Bonds7

About N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide

N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 42996600) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID42996600
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCCc1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H27N3O3S/c1-2-17-8-6-10-19(14-17)23-21(25)16-22-18-9-7-11-20(15-18)28(26,27)24-12-4-3-5-13-24/h6-11,14-15,22H,2-5,12-13,16H2,1H3,(H,23,25)
InChIKeyZTDIVMVTMZTKRH-UHFFFAOYSA-N
XLogP3.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083492
N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083464
2-(4-ethylpyridin-1-ium-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8857790
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-[3-(azepan-1-ylsulfonyl)anilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55362336
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide
CID 16553147
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (CID 42996600) is N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is CCc1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is ZTDIVMVTMZTKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-2-17-8-6-10-19(14-17)23-21(25)16-22-18-9-7-11-20(15-18)28(26,27)24-12-4-3-5-13-24/h6-11,14-15,22H,2-5,12-13,16H2,1H3,(H,23,25).
What are the key properties of N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 401.53 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 42996600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).