4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide

C26H31N3O3S — CID 3907965

IUPAC4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cs2)CC(C)C)cc1
InChIInChI=1S/C26H31N3O3S/c1-4-5-15-32-22-13-11-21(12-14-22)25(31)29(16-19(2)3)17-24(30)28-26-27-23(18-33-26)20-9-7-6-8-10-20/h6-14,18-19H,4-5,15-17H2,1-3H3,(H,27,28,30)
InChIKeyJTQUJTKLPZCMMA-UHFFFAOYSA-N
MW465.62 g/mol
LogP5.73
Rot. Bonds11

About 4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide

4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide (PubChem CID 3907965) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is 4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
PubChem CID3907965
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cs2)CC(C)C)cc1
InChIInChI=1S/C26H31N3O3S/c1-4-5-15-32-22-13-11-21(12-14-22)25(31)29(16-19(2)3)17-24(30)28-26-27-23(18-33-26)20-9-7-6-8-10-20/h6-14,18-19H,4-5,15-17H2,1-3H3,(H,27,28,30)
InChIKeyJTQUJTKLPZCMMA-UHFFFAOYSA-N
XLogP5.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 92993504
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 19196624
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
3-(4-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4138208
2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide
CID 1058209
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19196934
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 41273043

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide (CID 3907965) is 4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide is CCCCOc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cs2)CC(C)C)cc1.
What is the InChIKey of 4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide?
The InChIKey is JTQUJTKLPZCMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-4-5-15-32-22-13-11-21(12-14-22)25(31)29(16-19(2)3)17-24(30)28-26-27-23(18-33-26)20-9-7-6-8-10-20/h6-14,18-19H,4-5,15-17H2,1-3H3,(H,27,28,30).
What are the key properties of 4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide?
4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide has a molecular weight of 465.62 g/mol, XLogP of 5.73, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2-methylpropyl)-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 3907965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).