N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide

C23H30N2OS2 — CID 26322292

IUPACN-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN([C@H]2CCSC2)CC1
InChIInChI=1S/C23H30N2OS2/c1-24(23(26)20-9-13-27-16-20)22(15-18-5-3-2-4-6-18)19-7-11-25(12-8-19)21-10-14-28-17-21/h2-6,9,13,16,19,21-22H,7-8,10-12,14-15,17H2,1H3/t21-,22-/m0/s1
InChIKeyOSPLVQNQGWLPEV-VXKWHMMOSA-N
MW414.64 g/mol
LogP4.65
Rot. Bonds6

About N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide

N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide (PubChem CID 26322292) has the molecular formula C23H30N2OS2 and a molecular weight of 414.64 g/mol. Its IUPAC name is N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
PubChem CID26322292
Molecular FormulaC23H30N2OS2
Molecular Weight414.64 g/mol
Exact Mass414.18
IUPAC NameN-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
SMILESCN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN([C@H]2CCSC2)CC1
InChIInChI=1S/C23H30N2OS2/c1-24(23(26)20-9-13-27-16-20)22(15-18-5-3-2-4-6-18)19-7-11-25(12-8-19)21-10-14-28-17-21/h2-6,9,13,16,19,21-22H,7-8,10-12,14-15,17H2,1H3/t21-,22-/m0/s1
InChIKeyOSPLVQNQGWLPEV-VXKWHMMOSA-N
XLogP4.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.64
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-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-[(1S)-1-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-2-phenylethyl]-N-methylthiophene-3-carboxamide
CID 42435726
N-methyl-N-[(1S)-2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 25290635
N-methyl-N-[2-phenyl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 45233989
N-methyl-N-[2-phenyl-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 45214659
N-methyl-N-[(1S)-2-phenyl-1-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 42276524
N-[2-(4-fluorophenyl)-1-[1-(thiolan-3-yl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 126466137
N-methyl-N-[2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 45250903
N-[(1R)-2-(2-fluorophenyl)-1-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 42211628
N-[(1S)-2-(2-fluorophenyl)-1-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 42211634
N-[(1S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 26352988
N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 26352991
N-[(1R)-2-(2-fluorophenyl)-1-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 26342286

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide (CID 26322292) is N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide is CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN([C@H]2CCSC2)CC1.
What is the InChIKey of N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is OSPLVQNQGWLPEV-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H30N2OS2/c1-24(23(26)20-9-13-27-16-20)22(15-18-5-3-2-4-6-18)19-7-11-25(12-8-19)21-10-14-28-17-21/h2-6,9,13,16,19,21-22H,7-8,10-12,14-15,17H2,1H3/t21-,22-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide?
N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 414.64 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-2-phenyl-1-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 26322292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).