N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

C22H28N2O7S — CID 2920999

IUPACN-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O7S/c1-28-16-5-7-18(20(13-16)30-3)23-22(25)15-9-11-24(12-10-15)32(26,27)17-6-8-19(29-2)21(14-17)31-4/h5-8,13-15H,9-12H2,1-4H3,(H,23,25)
InChIKeyFDVLZDNFCISBTO-UHFFFAOYSA-N
MW464.54 g/mol
LogP2.76
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 2920999) has the molecular formula C22H28N2O7S and a molecular weight of 464.54 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID2920999
Molecular FormulaC22H28N2O7S
Molecular Weight464.54 g/mol
Exact Mass464.16
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O7S/c1-28-16-5-7-18(20(13-16)30-3)23-22(25)15-9-11-24(12-10-15)32(26,27)17-6-8-19(29-2)21(14-17)31-4/h5-8,13-15H,9-12H2,1-4H3,(H,23,25)
InChIKeyFDVLZDNFCISBTO-UHFFFAOYSA-N
XLogP2.76
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 2920999) is N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FDVLZDNFCISBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O7S/c1-28-16-5-7-18(20(13-16)30-3)23-22(25)15-9-11-24(12-10-15)32(26,27)17-6-8-19(29-2)21(14-17)31-4/h5-8,13-15H,9-12H2,1-4H3,(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2920999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).