1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

C22H28N2O5S — CID 31287972

IUPAC1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-3-29-19-8-10-20(11-9-19)30(26,27)24-14-12-17(13-15-24)22(25)23-16-18-6-4-5-7-21(18)28-2/h4-11,17H,3,12-16H2,1-2H3,(H,23,25)
InChIKeyDOVCROPECRISGW-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.81
Rot. Bonds8

About 1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 31287972) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID31287972
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-3-29-19-8-10-20(11-9-19)30(26,27)24-14-12-17(13-15-24)22(25)23-16-18-6-4-5-7-21(18)28-2/h4-11,17H,3,12-16H2,1-2H3,(H,23,25)
InChIKeyDOVCROPECRISGW-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

N-[(2-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285534
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1469325
1-(benzenesulfonyl)-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide
CID 73401618
1-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100652424
N-[(2,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55577918
1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94002807
ethyl 4-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938268
N-[2-(2-methoxyphenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26181194
1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 31287920
N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119404891
1-[4-[2-(dimethylamino)ethoxy]phenyl]sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 146443146

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 31287972) is 1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DOVCROPECRISGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-3-29-19-8-10-20(11-9-19)30(26,27)24-14-12-17(13-15-24)22(25)23-16-18-6-4-5-7-21(18)28-2/h4-11,17H,3,12-16H2,1-2H3,(H,23,25).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 31287972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).