1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide

C28H32N2O6S — CID 23160979

IUPAC1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCOc1cccc(C2(C(=O)NS(=O)(=O)Cc3ccccc3OC)CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C28H32N2O6S/c1-34-23-11-8-10-22(19-23)28(15-17-30(18-16-28)24-12-5-7-14-26(24)36-3)27(31)29-37(32,33)20-21-9-4-6-13-25(21)35-2/h4-14,19H,15-18,20H2,1-3H3,(H,29,31)
InChIKeySKNDFTKUTYTPEQ-UHFFFAOYSA-N
MW524.64 g/mol
LogP3.90
Rot. Bonds9

About 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide

1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 23160979) has the molecular formula C28H32N2O6S and a molecular weight of 524.64 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID23160979
Molecular FormulaC28H32N2O6S
Molecular Weight524.64 g/mol
Exact Mass524.20
IUPAC Name1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCOc1cccc(C2(C(=O)NS(=O)(=O)Cc3ccccc3OC)CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C28H32N2O6S/c1-34-23-11-8-10-22(19-23)28(15-17-30(18-16-28)24-12-5-7-14-26(24)36-3)27(31)29-37(32,33)20-21-9-4-6-13-25(21)35-2/h4-14,19H,15-18,20H2,1-3H3,(H,29,31)
InChIKeySKNDFTKUTYTPEQ-UHFFFAOYSA-N
XLogP3.90
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.64
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide (CID 23160979) is 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide is COc1cccc(C2(C(=O)NS(=O)(=O)Cc3ccccc3OC)CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is SKNDFTKUTYTPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6S/c1-34-23-11-8-10-22(19-23)28(15-17-30(18-16-28)24-12-5-7-14-26(24)36-3)27(31)29-37(32,33)20-21-9-4-6-13-25(21)35-2/h4-14,19H,15-18,20H2,1-3H3,(H,29,31).
What are the key properties of 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide?
1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 524.64 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 23160979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).