1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C19H28N2O5S — CID 2988334

IUPAC1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-2-25-16-5-7-18(8-6-16)27(23,24)21-11-9-15(10-12-21)19(22)20-14-17-4-3-13-26-17/h5-8,15,17H,2-4,9-14H2,1H3,(H,20,22)
InChIKeyDRHDTWCSWNSSOT-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.78
Rot. Bonds7

About 1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2988334) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2988334
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-2-25-16-5-7-18(8-6-16)27(23,24)21-11-9-15(10-12-21)19(22)20-14-17-4-3-13-26-17/h5-8,15,17H,2-4,9-14H2,1H3,(H,20,22)
InChIKeyDRHDTWCSWNSSOT-UHFFFAOYSA-N
XLogP1.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 2988334) is 1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DRHDTWCSWNSSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-2-25-16-5-7-18(8-6-16)27(23,24)21-11-9-15(10-12-21)19(22)20-14-17-4-3-13-26-17/h5-8,15,17H,2-4,9-14H2,1H3,(H,20,22).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2988334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).