N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide

C21H27N3O3S — CID 9083492

IUPACN-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCCc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-17-9-11-18(12-10-17)23-21(25)16-22-19-7-6-8-20(15-19)28(26,27)24-13-4-3-5-14-24/h6-12,15,22H,2-5,13-14,16H2,1H3,(H,23,25)
InChIKeyWNZFYURFLVDVAP-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.47
Rot. Bonds7

About N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide

N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 9083492) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID9083492
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCCc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-17-9-11-18(12-10-17)23-21(25)16-22-19-7-6-8-20(15-19)28(26,27)24-13-4-3-5-14-24/h6-12,15,22H,2-5,13-14,16H2,1H3,(H,23,25)
InChIKeyWNZFYURFLVDVAP-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-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457
N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 7939475
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
2-(4-ethylpyridin-1-ium-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8857790
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083464
N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide
CID 16553147
2-[3-(azepan-1-ylsulfonyl)anilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55362336
N-(3-chloro-4-cyanophenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083877
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide
CID 78782231
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (CID 9083492) is N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is CCc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is WNZFYURFLVDVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-2-17-9-11-18(12-10-17)23-21(25)16-22-19-7-6-8-20(15-19)28(26,27)24-13-4-3-5-14-24/h6-12,15,22H,2-5,13-14,16H2,1H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
N-(4-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-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 9083492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).