N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide

C24H30N2O2S — CID 45228808

IUPACN-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)C2CCCN(C3CCSCC3)C2)cc1
InChIInChI=1S/C24H30N2O2S/c1-28-21-10-8-18(9-11-21)22-6-2-3-7-23(22)25-24(27)19-5-4-14-26(17-19)20-12-15-29-16-13-20/h2-3,6-11,19-20H,4-5,12-17H2,1H3,(H,25,27)
InChIKeyYAZZNXHJFRHJPY-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.91
Rot. Bonds5

About N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide

N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide (PubChem CID 45228808) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
PubChem CID45228808
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC NameN-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)C2CCCN(C3CCSCC3)C2)cc1
InChIInChI=1S/C24H30N2O2S/c1-28-21-10-8-18(9-11-21)22-6-2-3-7-23(22)25-24(27)19-5-4-14-26(17-19)20-12-15-29-16-13-20/h2-3,6-11,19-20H,4-5,12-17H2,1H3,(H,25,27)
InChIKeyYAZZNXHJFRHJPY-UHFFFAOYSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067
N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
CID 45243690
N-[2-(4-methoxyphenyl)phenyl]-1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxamide
CID 45247760
1-[(3,5-difluorophenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45169697
(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide
CID 42596442
1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45184860
N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 45186640
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
CID 42211902
(2S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 42515952
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-1-methylpiperidine-3-carboxamide;hydrochloride
CID 162337803
2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide
CID 67042246
N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide
CID 45192068

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide (CID 45228808) is N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide is COc1ccc(-c2ccccc2NC(=O)C2CCCN(C3CCSCC3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide?
The InChIKey is YAZZNXHJFRHJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-28-21-10-8-18(9-11-21)22-6-2-3-7-23(22)25-24(27)19-5-4-14-26(17-19)20-12-15-29-16-13-20/h2-3,6-11,19-20H,4-5,12-17H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide?
N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 45228808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).