N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide

C23H26N4O2S — CID 53037374

IUPACN-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(Sc2nccnc2N2CCC(C(=O)NCc3ccc(C)o3)CC2)c1
InChIInChI=1S/C23H26N4O2S/c1-16-4-3-5-20(14-16)30-23-21(24-10-11-25-23)27-12-8-18(9-13-27)22(28)26-15-19-7-6-17(2)29-19/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3,(H,26,28)
InChIKeyWMBJVFGIZWKSDA-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.37
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide

N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 53037374) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
PubChem CID53037374
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(Sc2nccnc2N2CCC(C(=O)NCc3ccc(C)o3)CC2)c1
InChIInChI=1S/C23H26N4O2S/c1-16-4-3-5-20(14-16)30-23-21(24-10-11-25-23)27-12-8-18(9-13-27)22(28)26-15-19-7-6-17(2)29-19/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3,(H,26,28)
InChIKeyWMBJVFGIZWKSDA-UHFFFAOYSA-N
XLogP4.37
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]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-(3-methylbutyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 46392266
1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50768626
1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 95092282
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
(3S)-N-[(2R)-butan-2-yl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897156
(3R)-N-[(2R)-butan-2-yl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 92897152
N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide
CID 53129966
N-(3-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129879
N-tert-butyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129863
(3S)-N-[(4-methylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884309
N-(4-fluorophenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392386
N-(3,4-dimethylphenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834408

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide (CID 53037374) is N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide is Cc1cccc(Sc2nccnc2N2CCC(C(=O)NCc3ccc(C)o3)CC2)c1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is WMBJVFGIZWKSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-4-3-5-20(14-16)30-23-21(24-10-11-25-23)27-12-8-18(9-13-27)22(28)26-15-19-7-6-17(2)29-19/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3,(H,26,28).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53037374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).