N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide

C24H32N2O6S2 — CID 24732571

IUPACN-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOCCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CCN(Cc2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C24H32N2O6S2/c1-32-17-16-26(24(27)19-8-10-22(11-9-19)33(2,28)29)21-12-14-25(15-13-21)18-20-6-4-5-7-23(20)34(3,30)31/h4-11,21H,12-18H2,1-3H3
InChIKeyBDWKJGFOSRRRIJ-UHFFFAOYSA-N
MW508.66 g/mol
LogP2.25
Rot. Bonds9

About N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide

N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 24732571) has the molecular formula C24H32N2O6S2 and a molecular weight of 508.66 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID24732571
Molecular FormulaC24H32N2O6S2
Molecular Weight508.66 g/mol
Exact Mass508.17
IUPAC NameN-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOCCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CCN(Cc2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C24H32N2O6S2/c1-32-17-16-26(24(27)19-8-10-22(11-9-19)33(2,28)29)21-12-14-25(15-13-21)18-20-6-4-5-7-23(20)34(3,30)31/h4-11,21H,12-18H2,1-3H3
InChIKeyBDWKJGFOSRRRIJ-UHFFFAOYSA-N
XLogP2.25
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.66
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)-4-methylsulfonylbenzamide
CID 24731104
N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24732550
N-(2-methoxyethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-4-methylsulfonylbenzamide
CID 24732599
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102872269
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222
N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 24732579
methyl 4-[[4-[furan-2-ylmethyl-(4-methylsulfonylbenzoyl)amino]piperidin-1-yl]methyl]benzoate
CID 24732494
N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 24732077
N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 24732428
N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 24732581

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide (CID 24732571) is N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide is COCCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CCN(Cc2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is BDWKJGFOSRRRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6S2/c1-32-17-16-26(24(27)19-8-10-22(11-9-19)33(2,28)29)21-12-14-25(15-13-21)18-20-6-4-5-7-23(20)34(3,30)31/h4-11,21H,12-18H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide?
N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 508.66 g/mol, XLogP of 2.25, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 24732571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).