N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide

C21H25N3O2S — CID 51324355

IUPACN-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1csc2c1CCCC2
InChIInChI=1S/C21H25N3O2S/c25-20(18-14-27-19-9-5-4-8-17(18)19)22-16-10-12-24(13-11-16)21(26)23-15-6-2-1-3-7-15/h1-3,6-7,14,16H,4-5,8-13H2,(H,22,25)(H,23,26)
InChIKeyPWUAUDBGRJGRKF-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.05
Rot. Bonds3

About N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide

N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide (PubChem CID 51324355) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide
PubChem CID51324355
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1csc2c1CCCC2
InChIInChI=1S/C21H25N3O2S/c25-20(18-14-27-19-9-5-4-8-17(18)19)22-16-10-12-24(13-11-16)21(26)23-15-6-2-1-3-7-15/h1-3,6-7,14,16H,4-5,8-13H2,(H,22,25)(H,23,26)
InChIKeyPWUAUDBGRJGRKF-UHFFFAOYSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-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-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18149413
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 39999740
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46530497
N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
CID 46537325
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335
4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 46537368
1-(4-fluorophenyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55502112
2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 120619547
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide (CID 51324355) is N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1csc2c1CCCC2.
What is the InChIKey of N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide?
The InChIKey is PWUAUDBGRJGRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-20(18-14-27-19-9-5-4-8-17(18)19)22-16-10-12-24(13-11-16)21(26)23-15-6-2-1-3-7-15/h1-3,6-7,14,16H,4-5,8-13H2,(H,22,25)(H,23,26).
What are the key properties of N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide?
N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 51324355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).