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

C20H22N4O3S — CID 9083464

IUPACN-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C20H22N4O3S/c21-14-16-6-4-8-18(12-16)23-20(25)15-22-17-7-5-9-19(13-17)28(26,27)24-10-2-1-3-11-24/h4-9,12-13,22H,1-3,10-11,15H2,(H,23,25)
InChIKeyDGEOLLVFIPMJEK-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.78
Rot. Bonds6

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

N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 9083464) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID9083464
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C20H22N4O3S/c21-14-16-6-4-8-18(12-16)23-20(25)15-22-17-7-5-9-19(13-17)28(26,27)24-10-2-1-3-11-24/h4-9,12-13,22H,1-3,10-11,15H2,(H,23,25)
InChIKeyDGEOLLVFIPMJEK-UHFFFAOYSA-N
XLogP2.78
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083877
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083492
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-pyridinyl)acetamide
CID 78782231
N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide
CID 16553147
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (CID 9083464) is N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is N#Cc1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is DGEOLLVFIPMJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c21-14-16-6-4-8-18(12-16)23-20(25)15-22-17-7-5-9-19(13-17)28(26,27)24-10-2-1-3-11-24/h4-9,12-13,22H,1-3,10-11,15H2,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 398.49 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 9083464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).