N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide

C23H32N2O2S — CID 42401892

IUPACN-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(C)s1
InChIInChI=1S/C23H32N2O2S/c1-4-25(23(26)22-11-10-18(2)28-22)17-20-8-6-13-24(16-20)14-12-19-7-5-9-21(15-19)27-3/h5,7,9-11,15,20H,4,6,8,12-14,16-17H2,1-3H3/t20-/m0/s1
InChIKeyUTWGJIZTKRZUBK-FQEVSTJZSA-N
MW400.59 g/mol
LogP4.48
Rot. Bonds8

About N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide

N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 42401892) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID42401892
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC NameN-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(C)s1
InChIInChI=1S/C23H32N2O2S/c1-4-25(23(26)22-11-10-18(2)28-22)17-20-8-6-13-24(16-20)14-12-19-7-5-9-21(15-19)27-3/h5,7,9-11,15,20H,4,6,8,12-14,16-17H2,1-3H3/t20-/m0/s1
InChIKeyUTWGJIZTKRZUBK-FQEVSTJZSA-N
XLogP4.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylpyrimidine-5-carboxamide
CID 72889277
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441
N-ethyl-2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45218660
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97454121
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylacetamide
CID 42401697
4-ethenyl-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 45199416
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 72876962
4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 42415674
methyl 4-[ethyl-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]-4-oxobutanoate
CID 42509025
N-ethyl-3-ethynyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 25456627
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 45234537

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide (CID 42401892) is N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide is CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(C)s1.
What is the InChIKey of N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is UTWGJIZTKRZUBK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-4-25(23(26)22-11-10-18(2)28-22)17-20-8-6-13-24(16-20)14-12-19-7-5-9-21(15-19)27-3/h5,7,9-11,15,20H,4,6,8,12-14,16-17H2,1-3H3/t20-/m0/s1.
What are the key properties of N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide?
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 400.59 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 42401892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).