N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide

C22H28N2O3S — CID 55363381

IUPACN-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2C)ccc1C)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-4-23(19-11-6-5-7-12-19)22(25)21-16-20(14-13-17(21)2)28(26,27)24-15-9-8-10-18(24)3/h5-7,11-14,16,18H,4,8-10,15H2,1-3H3
InChIKeyVDKUKNMFPVQHFI-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.22
Rot. Bonds5

About N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide

N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide (PubChem CID 55363381) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
PubChem CID55363381
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2C)ccc1C)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-4-23(19-11-6-5-7-12-19)22(25)21-16-20(14-13-17(21)2)28(26,27)24-15-9-8-10-18(24)3/h5-7,11-14,16,18H,4,8-10,15H2,1-3H3
InChIKeyVDKUKNMFPVQHFI-UHFFFAOYSA-N
XLogP4.22
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 42909107
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46654602
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55342700
(3R)-3-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]butanoic acid
CID 97314683
N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55550998
N-methyl-4-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 51161111
[1-oxo-1-(propylamino)propan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 46624379
methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate
CID 46402513

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
The IUPAC name of N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide (CID 55363381) is N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
The canonical SMILES for N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide is CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2C)ccc1C)c1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
The InChIKey is VDKUKNMFPVQHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-4-23(19-11-6-5-7-12-19)22(25)21-16-20(14-13-17(21)2)28(26,27)24-15-9-8-10-18(24)3/h5-7,11-14,16,18H,4,8-10,15H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide?
N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide is sourced from PubChem (CID 55363381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).