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

C19H28F2N2O5S — CID 55612264

IUPACN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCOc1cc(CN(C)C(=O)C2CCN(S(=O)(=O)CC)CC2)ccc1OC(F)F
InChIInChI=1S/C19H28F2N2O5S/c1-4-27-17-12-14(6-7-16(17)28-19(20)21)13-22(3)18(24)15-8-10-23(11-9-15)29(25,26)5-2/h6-7,12,15,19H,4-5,8-11,13H2,1-3H3
InChIKeyAIZLJBATLABKCL-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.71
Rot. Bonds9

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

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 55612264) has the molecular formula C19H28F2N2O5S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID55612264
Molecular FormulaC19H28F2N2O5S
Molecular Weight434.51 g/mol
Exact Mass434.17
IUPAC NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCOc1cc(CN(C)C(=O)C2CCN(S(=O)(=O)CC)CC2)ccc1OC(F)F
InChIInChI=1S/C19H28F2N2O5S/c1-4-27-17-12-14(6-7-16(17)28-19(20)21)13-22(3)18(24)15-8-10-23(11-9-15)29(25,26)5-2/h6-7,12,15,19H,4-5,8-11,13H2,1-3H3
InChIKeyAIZLJBATLABKCL-UHFFFAOYSA-N
XLogP2.71
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 39412430
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27780979
N-[[4-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 36665418
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119717164
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
1-[(4-bromophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 38020175
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56582546
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-phenylsulfanylacetamide
CID 55612167
1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 46550702
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
CID 119285906
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 55612240
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 28633693

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide (CID 55612264) is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide is CCOc1cc(CN(C)C(=O)C2CCN(S(=O)(=O)CC)CC2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is AIZLJBATLABKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O5S/c1-4-27-17-12-14(6-7-16(17)28-19(20)21)13-22(3)18(24)15-8-10-23(11-9-15)29(25,26)5-2/h6-7,12,15,19H,4-5,8-11,13H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55612264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).