N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide

C23H28F2N2O6S — CID 27780979

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(OC(F)F)c(OC)c3)CC2)cc1
InChIInChI=1S/C23H28F2N2O6S/c1-26(15-16-4-9-20(33-23(24)25)21(14-16)32-3)22(28)17-10-12-27(13-11-17)34(29,30)19-7-5-18(31-2)6-8-19/h4-9,14,17,23H,10-13,15H2,1-3H3
InChIKeyIABYZWWEPFEREK-UHFFFAOYSA-N
MW498.55 g/mol
LogP3.36
Rot. Bonds9

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 27780979) has the molecular formula C23H28F2N2O6S and a molecular weight of 498.55 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID27780979
Molecular FormulaC23H28F2N2O6S
Molecular Weight498.55 g/mol
Exact Mass498.16
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(OC(F)F)c(OC)c3)CC2)cc1
InChIInChI=1S/C23H28F2N2O6S/c1-26(15-16-4-9-20(33-23(24)25)21(14-16)32-3)22(28)17-10-12-27(13-11-17)34(29,30)19-7-5-18(31-2)6-8-19/h4-9,14,17,23H,10-13,15H2,1-3H3
InChIKeyIABYZWWEPFEREK-UHFFFAOYSA-N
XLogP3.36
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26594403
1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26594400
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 28954361
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 55612264
1-(3,4-dimethoxyphenyl)sulfonyl-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 30856966
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26594501
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 55364438
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26891230
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56582546
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800732
1-[(4-bromophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 38020175

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 27780979) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(OC(F)F)c(OC)c3)CC2)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is IABYZWWEPFEREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O6S/c1-26(15-16-4-9-20(33-23(24)25)21(14-16)32-3)22(28)17-10-12-27(13-11-17)34(29,30)19-7-5-18(31-2)6-8-19/h4-9,14,17,23H,10-13,15H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 498.55 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 27780979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).