2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C22H27Cl2N3O3S — CID 46767651

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H27Cl2N3O3S/c1-31(29,30)27(21-13-19(23)9-10-20(21)24)16-22(28)25-14-17-5-7-18(8-6-17)15-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14-16H2,1H3,(H,25,28)
InChIKeyRBFKQQHICQDADI-UHFFFAOYSA-N
MW484.45 g/mol
LogP4.06
Rot. Bonds8

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 46767651) has the molecular formula C22H27Cl2N3O3S and a molecular weight of 484.45 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID46767651
Molecular FormulaC22H27Cl2N3O3S
Molecular Weight484.45 g/mol
Exact Mass483.12
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H27Cl2N3O3S/c1-31(29,30)27(21-13-19(23)9-10-20(21)24)16-22(28)25-14-17-5-7-18(8-6-17)15-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14-16H2,1H3,(H,25,28)
InChIKeyRBFKQQHICQDADI-UHFFFAOYSA-N
XLogP4.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767585
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 1090652
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767085
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767680
2-(4-ethoxy-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767593
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767610
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30222196
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767097
N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1095286

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 46767651) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is RBFKQQHICQDADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O3S/c1-31(29,30)27(21-13-19(23)9-10-20(21)24)16-22(28)25-14-17-5-7-18(8-6-17)15-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14-16H2,1H3,(H,25,28).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 484.45 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46767651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).