N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide

C22H28N2O5S — CID 52999250

IUPACN-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H28N2O5S/c1-22(21(25)23-16-17-7-5-4-6-8-17)11-13-24(14-12-22)30(26,27)18-9-10-19(28-2)20(15-18)29-3/h4-10,15H,11-14,16H2,1-3H3,(H,23,25)
InChIKeyBSEVLYNXGHIFDU-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.81
Rot. Bonds7

About N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide

N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide (PubChem CID 52999250) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide
PubChem CID52999250
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H28N2O5S/c1-22(21(25)23-16-17-7-5-4-6-8-17)11-13-24(14-12-22)30(26,27)18-9-10-19(28-2)20(15-18)29-3/h4-10,15H,11-14,16H2,1-3H3,(H,23,25)
InChIKeyBSEVLYNXGHIFDU-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999272
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999277
1-(3,5-dimethylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999374
N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 52999238
1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999342
N-[(4-methoxyphenyl)methyl]-4-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 52999363
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 94861770
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 94861767
(3R)-N-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088363
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
(3S)-1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088115
(3R)-N-benzyl-1-(4-ethylphenyl)sulfonyl-3-methylpiperidine-3-carboxamide
CID 95088364

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide (CID 52999250) is N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide?
The InChIKey is BSEVLYNXGHIFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-22(21(25)23-16-17-7-5-4-6-8-17)11-13-24(14-12-22)30(26,27)18-9-10-19(28-2)20(15-18)29-3/h4-10,15H,11-14,16H2,1-3H3,(H,23,25).
What are the key properties of N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide?
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 52999250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).