N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

C23H30N2O4S — CID 78887706

IUPACN-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCOc1cccc(CNC(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)c1
InChIInChI=1S/C23H30N2O4S/c1-3-29-21-12-8-9-19(17-21)18-24-22(26)23(20-10-6-5-7-11-20)13-15-25(16-14-23)30(27,28)4-2/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,24,26)
InChIKeyUDGZWMJXDNYGLM-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.09
Rot. Bonds8

About N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (PubChem CID 78887706) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
PubChem CID78887706
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCOc1cccc(CNC(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)c1
InChIInChI=1S/C23H30N2O4S/c1-3-29-21-12-8-9-19(17-21)18-24-22(26)23(20-10-6-5-7-11-20)13-15-25(16-14-23)30(27,28)4-2/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,24,26)
InChIKeyUDGZWMJXDNYGLM-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 78816293
1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 78852985
1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide
CID 78816447
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78892545
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 78841149
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
1-ethylsulfonyl-4-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78902535

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (CID 78887706) is N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is CCOc1cccc(CNC(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is UDGZWMJXDNYGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-3-29-21-12-8-9-19(17-21)18-24-22(26)23(20-10-6-5-7-11-20)13-15-25(16-14-23)30(27,28)4-2/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,24,26).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78887706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).