N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide

C25H33N3O4S — CID 24719570

IUPACN-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(C(NC(=O)c2cccs2)C(=O)NC(C)C(C)C)CC1
InChIInChI=1S/C25H33N3O4S/c1-16(2)17(3)26-24(30)22(27-23(29)21-10-7-15-33-21)18-11-13-28(14-12-18)25(31)19-8-5-6-9-20(19)32-4/h5-10,15-18,22H,11-14H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyRZUFILDKUYLLII-UHFFFAOYSA-N
MW471.62 g/mol
LogP3.57
Rot. Bonds8

About N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide

N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 24719570) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID24719570
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(C(NC(=O)c2cccs2)C(=O)NC(C)C(C)C)CC1
InChIInChI=1S/C25H33N3O4S/c1-16(2)17(3)26-24(30)22(27-23(29)21-10-7-15-33-21)18-11-13-28(14-12-18)25(31)19-8-5-6-9-20(19)32-4/h5-10,15-18,22H,11-14H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyRZUFILDKUYLLII-UHFFFAOYSA-N
XLogP3.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-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-benzoylpiperidin-4-yl)-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 93197087
N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 93197098
N-[1-(2-methoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110820518
N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 46019312
N-[(1S)-2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93197038
[1-(2-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394347
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 93199147
N-[1-(1-benzoylpiperidin-4-yl)-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 42840462
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 46019119
2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 46019392
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196790
N-[(1S)-1-(benzenesulfonyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 98173415

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 24719570) is N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide is COc1ccccc1C(=O)N1CCC(C(NC(=O)c2cccs2)C(=O)NC(C)C(C)C)CC1.
What is the InChIKey of N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is RZUFILDKUYLLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-16(2)17(3)26-24(30)22(27-23(29)21-10-7-15-33-21)18-11-13-28(14-12-18)25(31)19-8-5-6-9-20(19)32-4/h5-10,15-18,22H,11-14H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 471.62 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24719570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).