N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide

C20H24ClN3O3S — CID 9083457

IUPACN-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1Cl
InChIInChI=1S/C20H24ClN3O3S/c1-15-8-9-17(13-19(15)21)23-20(25)14-22-16-6-5-7-18(12-16)28(26,27)24-10-3-2-4-11-24/h5-9,12-13,22H,2-4,10-11,14H2,1H3,(H,23,25)
InChIKeyKTABREQPEYEWAN-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.87
Rot. Bonds6

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

N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 9083457) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID9083457
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1Cl
InChIInChI=1S/C20H24ClN3O3S/c1-15-8-9-17(13-19(15)21)23-20(25)14-22-16-6-5-7-18(12-16)28(26,27)24-10-3-2-4-11-24/h5-9,12-13,22H,2-4,10-11,14H2,1H3,(H,23,25)
InChIKeyKTABREQPEYEWAN-UHFFFAOYSA-N
XLogP3.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083877
N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083492
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083464
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-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46797807
2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(1S)-1-phenylethyl]acetamide
CID 9101152
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-[3-(azepan-1-ylsulfonyl)anilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55362336

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide (CID 9083457) is N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is KTABREQPEYEWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-15-8-9-17(13-19(15)21)23-20(25)14-22-16-6-5-7-18(12-16)28(26,27)24-10-3-2-4-11-24/h5-9,12-13,22H,2-4,10-11,14H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 421.95 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 9083457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).