N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide

C22H27ClN2O3S — CID 508799

IUPACN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-17-2-8-21(9-3-17)29(27,28)16-22(26)24-14-18-10-12-25(13-11-18)15-19-4-6-20(23)7-5-19/h2-9,18H,10-16H2,1H3,(H,24,26)
InChIKeyCHPLGZIXQZUXOS-UHFFFAOYSA-N
MW434.99 g/mol
LogP3.45
Rot. Bonds7

About N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide

N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 508799) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide
PubChem CID508799
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-17-2-8-21(9-3-17)29(27,28)16-22(26)24-14-18-10-12-25(13-11-18)15-19-4-6-20(23)7-5-19/h2-9,18H,10-16H2,1H3,(H,24,26)
InChIKeyCHPLGZIXQZUXOS-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea
CID 22430442
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24665941
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-methoxypropanamide
CID 69216235
1-(3-hydroxypropyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 111106672
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-ethylphenyl)urea
CID 23609169
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021390
(2S)-2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-hydroxypropanamide
CID 69214587
2-amino-5-bromo-N-[2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]benzamide
CID 508909
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide (CID 508799) is N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)CC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is CHPLGZIXQZUXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-17-2-8-21(9-3-17)29(27,28)16-22(26)24-14-18-10-12-25(13-11-18)15-19-4-6-20(23)7-5-19/h2-9,18H,10-16H2,1H3,(H,24,26).
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide?
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 434.99 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 508799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).