2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide

C22H26ClN3O4S — CID 46019392

IUPAC2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
SMILESCOCCNC(=O)C(NC(=O)c1ccccc1Cl)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H26ClN3O4S/c1-30-13-10-24-21(28)19(25-20(27)16-5-2-3-6-17(16)23)15-8-11-26(12-9-15)22(29)18-7-4-14-31-18/h2-7,14-15,19H,8-13H2,1H3,(H,24,28)(H,25,27)
InChIKeyXGHPXIRENGXTHU-UHFFFAOYSA-N
MW463.99 g/mol
LogP2.81
Rot. Bonds8

About 2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide

2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide (PubChem CID 46019392) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
PubChem CID46019392
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
SMILESCOCCNC(=O)C(NC(=O)c1ccccc1Cl)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H26ClN3O4S/c1-30-13-10-24-21(28)19(25-20(27)16-5-2-3-6-17(16)23)15-8-11-26(12-9-15)22(29)18-7-4-14-31-18/h2-7,14-15,19H,8-13H2,1H3,(H,24,28)(H,25,27)
InChIKeyXGHPXIRENGXTHU-UHFFFAOYSA-N
XLogP2.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 46019119
N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide
CID 93196917
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 71956472
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 46019129
N-[(1R)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93196594
2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93196379
N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196592
N-(3-chlorophenyl)-4-[2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 46020635
N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 93200178
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196580
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 93199147
2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93196391

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide (CID 46019392) is 2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide is COCCNC(=O)C(NC(=O)c1ccccc1Cl)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
The InChIKey is XGHPXIRENGXTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-30-13-10-24-21(28)19(25-20(27)16-5-2-3-6-17(16)23)15-8-11-26(12-9-15)22(29)18-7-4-14-31-18/h2-7,14-15,19H,8-13H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide has a molecular weight of 463.99 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 46019392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).