4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

C20H27N3O3S — CID 11863897

IUPAC4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1
InChIInChI=1S/C20H27N3O3S/c1-5-6-11-26-15-9-7-14(8-10-15)19(24)21-18-16-12-27(25)13-17(16)22-23(18)20(2,3)4/h7-10H,5-6,11-13H2,1-4H3,(H,21,24)/t27-/m0/s1
InChIKeyRPGDTZJXUVLGGI-MHZLTWQESA-N
MW389.52 g/mol
LogP3.83
Rot. Bonds6

About 4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 11863897) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
PubChem CID11863897
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1
InChIInChI=1S/C20H27N3O3S/c1-5-6-11-26-15-9-7-14(8-10-15)19(24)21-18-16-12-27(25)13-17(16)22-23(18)20(2,3)4/h7-10H,5-6,11-13H2,1-4H3,(H,21,24)/t27-/m0/s1
InChIKeyRPGDTZJXUVLGGI-MHZLTWQESA-N
XLogP3.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide 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-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide
CID 5095506
N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-pentoxybenzamide
CID 55727328
4-chloro-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3352139
4-butoxy-N-tert-butylbenzamide
CID 60643031
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 3284733
4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 5175415
4-pentoxybenzohydrazide
CID 2727702
methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
CID 31922159
4-butoxy-N-(1,2-oxazol-3-yl)benzamide
CID 25236391
N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide
CID 17012565
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The IUPAC name of 4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 11863897) is 4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is CCCCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc1.
What is the InChIKey of 4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The InChIKey is RPGDTZJXUVLGGI-MHZLTWQESA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-5-6-11-26-15-9-7-14(8-10-15)19(24)21-18-16-12-27(25)13-17(16)22-23(18)20(2,3)4/h7-10H,5-6,11-13H2,1-4H3,(H,21,24)/t27-/m0/s1.
What are the key properties of 4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 11863897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).