1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C26H31N3O5S — CID 55967746

IUPAC1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C26H31N3O5S/c1-33-24-10-4-2-8-22(24)18-28(19-23-9-6-16-34-23)26(30)20-12-14-29(15-13-20)35(31,32)25-11-5-3-7-21(25)17-27/h2-5,7-8,10-11,20,23H,6,9,12-16,18-19H2,1H3
InChIKeyFFYWYCMHWBMOKK-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.18
Rot. Bonds8

About 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 55967746) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID55967746
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C26H31N3O5S/c1-33-24-10-4-2-8-22(24)18-28(19-23-9-6-16-34-23)26(30)20-12-14-29(15-13-20)35(31,32)25-11-5-3-7-21(25)17-27/h2-5,7-8,10-11,20,23H,6,9,12-16,18-19H2,1H3
InChIKeyFFYWYCMHWBMOKK-UHFFFAOYSA-N
XLogP3.18
TPSA99.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 119729721
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55389188
N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 55594937
N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 24603453
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
N-[(2-methoxyphenyl)methyl]-1,3-dioxo-N,2-bis(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55968894
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
1-(2-cyanophenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 27861422
N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55968770
N-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55967624
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 75910284

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 55967746) is 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is COc1ccccc1CN(CC1CCCO1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FFYWYCMHWBMOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-33-24-10-4-2-8-22(24)18-28(19-23-9-6-16-34-23)26(30)20-12-14-29(15-13-20)35(31,32)25-11-5-3-7-21(25)17-27/h2-5,7-8,10-11,20,23H,6,9,12-16,18-19H2,1H3.
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55967746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).