N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C24H24N2O4S — CID 55559806

IUPACN-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C24H24N2O4S/c1-29-20-7-2-3-8-21(20)30-19-12-10-18(11-13-19)25-23(27)17-6-4-14-26(16-17)24(28)22-9-5-15-31-22/h2-3,5,7-13,15,17H,4,6,14,16H2,1H3,(H,25,27)
InChIKeyQOWAXZKSGFJMKF-UHFFFAOYSA-N
MW436.53 g/mol
LogP5.04
Rot. Bonds6

About N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55559806) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55559806
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C24H24N2O4S/c1-29-20-7-2-3-8-21(20)30-19-12-10-18(11-13-19)25-23(27)17-6-4-14-26(16-17)24(28)22-9-5-15-31-22/h2-3,5,7-13,15,17H,4,6,14,16H2,1H3,(H,25,27)
InChIKeyQOWAXZKSGFJMKF-UHFFFAOYSA-N
XLogP5.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557429
N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558530
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55584917
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947000
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044
N-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511138
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947029
N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86965741
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55559806) is N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is COc1ccccc1Oc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is QOWAXZKSGFJMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-29-20-7-2-3-8-21(20)30-19-12-10-18(11-13-19)25-23(27)17-6-4-14-26(16-17)24(28)22-9-5-15-31-22/h2-3,5,7-13,15,17H,4,6,14,16H2,1H3,(H,25,27).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55559806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).