N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide

C16H21Cl2N3O3S — CID 123261379

IUPACN-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide
SMILESC=CS(=O)(=O)NC1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2C)CC1
InChIInChI=1S/C16H21Cl2N3O3S/c1-3-25(23,24)20-12-4-6-21(7-5-12)10-16(22)19-15-9-14(18)13(17)8-11(15)2/h3,8-9,12,20H,1,4-7,10H2,2H3,(H,19,22)
InChIKeyVRWHBXPYQXBMFA-UHFFFAOYSA-N
MW406.34 g/mol
LogP2.77
Rot. Bonds6

About N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide

N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide (PubChem CID 123261379) has the molecular formula C16H21Cl2N3O3S and a molecular weight of 406.34 g/mol. Its IUPAC name is N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide
PubChem CID123261379
Molecular FormulaC16H21Cl2N3O3S
Molecular Weight406.34 g/mol
Exact Mass405.07
IUPAC NameN-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide
SMILESC=CS(=O)(=O)NC1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2C)CC1
InChIInChI=1S/C16H21Cl2N3O3S/c1-3-25(23,24)20-12-4-6-21(7-5-12)10-16(22)19-15-9-14(18)13(17)8-11(15)2/h3,8-9,12,20H,1,4-7,10H2,2H3,(H,19,22)
InChIKeyVRWHBXPYQXBMFA-UHFFFAOYSA-N
XLogP2.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119920610
1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxylic acid
CID 119907939
N-(2,6-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 86914366
N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923478
2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 99783586
4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide
CID 170069559
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655914
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide (CID 123261379) is N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide is C=CS(=O)(=O)NC1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2C)CC1.
What is the InChIKey of N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide?
The InChIKey is VRWHBXPYQXBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O3S/c1-3-25(23,24)20-12-4-6-21(7-5-12)10-16(22)19-15-9-14(18)13(17)8-11(15)2/h3,8-9,12,20H,1,4-7,10H2,2H3,(H,19,22).
What are the key properties of N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide?
N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide has a molecular weight of 406.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 123261379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).