1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C21H32N2O5S — CID 24816606

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C21H32N2O5S/c1-15(2)17-6-7-19(27-3)20(13-17)29(25,26)23-10-8-16(9-11-23)21(24)22-14-18-5-4-12-28-18/h6-7,13,15-16,18H,4-5,8-12,14H2,1-3H3,(H,22,24)
InChIKeySQRGPTZNRKHJGK-UHFFFAOYSA-N
MW424.56 g/mol
LogP2.51
Rot. Bonds7

About 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 24816606) has the molecular formula C21H32N2O5S and a molecular weight of 424.56 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID24816606
Molecular FormulaC21H32N2O5S
Molecular Weight424.56 g/mol
Exact Mass424.20
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C21H32N2O5S/c1-15(2)17-6-7-19(27-3)20(13-17)29(25,26)23-10-8-16(9-11-23)21(24)22-14-18-5-4-12-28-18/h6-7,13,15-16,18H,4-5,8-12,14H2,1-3H3,(H,22,24)
InChIKeySQRGPTZNRKHJGK-UHFFFAOYSA-N
XLogP2.51
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[(2-methoxy-5-methylphenyl)sulfonyl]-N-(2-phenylethyl)-4-piperidinecarboxamide
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CID 2574238
1-[(4-methoxyphenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2925242
1-[(2,5-dimethoxyphenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2963986
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
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1-[(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 6236432
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
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4-({1-[(2-Methoxy-5-methylphenyl)sulfonyl]-4-piperidinyl}carbonyl)morpholine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 24816606) is 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SQRGPTZNRKHJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5S/c1-15(2)17-6-7-19(27-3)20(13-17)29(25,26)23-10-8-16(9-11-23)21(24)22-14-18-5-4-12-28-18/h6-7,13,15-16,18H,4-5,8-12,14H2,1-3H3,(H,22,24).
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 424.56 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24816606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).