N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide

C22H27ClN2O4S — CID 31288395

IUPACN-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-3-29-19-8-10-20(11-9-19)30(27,28)25-14-12-17(13-15-25)22(26)24(2)16-18-6-4-5-7-21(18)23/h4-11,17H,3,12-16H2,1-2H3
InChIKeyRUJNXJMWLAIUGB-UHFFFAOYSA-N
MW450.99 g/mol
LogP3.80
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 31288395) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID31288395
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-3-29-19-8-10-20(11-9-19)30(27,28)25-14-12-17(13-15-25)22(26)24(2)16-18-6-4-5-7-21(18)23/h4-11,17H,3,12-16H2,1-2H3
InChIKeyRUJNXJMWLAIUGB-UHFFFAOYSA-N
XLogP3.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 39966577
1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 31670247
N-[(2-ethoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55861405
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
1-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 27795592
N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27773885
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 71901894
N-[(4-ethoxyphenyl)methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27822863
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26558333

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 31288395) is N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is RUJNXJMWLAIUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-3-29-19-8-10-20(11-9-19)30(27,28)25-14-12-17(13-15-25)22(26)24(2)16-18-6-4-5-7-21(18)23/h4-11,17H,3,12-16H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 450.99 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 31288395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).