[2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

C24H29NO7S — CID 42985506

IUPAC[2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCCCCc1ccc(C(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C24H29NO7S/c1-3-4-5-18-6-8-19(9-7-18)21(26)17-32-24(27)20-10-11-22(30-2)23(16-20)33(28,29)25-12-14-31-15-13-25/h6-11,16H,3-5,12-15,17H2,1-2H3
InChIKeyUVJZHHBNVWZJOF-UHFFFAOYSA-N
MW475.56 g/mol
LogP3.10
Rot. Bonds10

About [2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

[2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 42985506) has the molecular formula C24H29NO7S and a molecular weight of 475.56 g/mol. Its IUPAC name is [2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
PubChem CID42985506
Molecular FormulaC24H29NO7S
Molecular Weight475.56 g/mol
Exact Mass475.17
IUPAC Name[2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCCCCc1ccc(C(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C24H29NO7S/c1-3-4-5-18-6-8-19(9-7-18)21(26)17-32-24(27)20-10-11-22(30-2)23(16-20)33(28,29)25-12-14-31-15-13-25/h6-11,16H,3-5,12-15,17H2,1-2H3
InChIKeyUVJZHHBNVWZJOF-UHFFFAOYSA-N
XLogP3.10
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate 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

[2-(2,5-diethylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42986055
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4565875
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2116327
[2-(3-ethylanilino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42971588
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4854960
[2-(1H-indol-3-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2462470
2-(4-methylphenoxy)ethyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2652455
propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4849600
[2-(4-tert-butylphenyl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521348
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 43023467

Frequently Asked Questions

What is the IUPAC name of [2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (CID 42985506) is [2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is CCCCc1ccc(C(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of [2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is UVJZHHBNVWZJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO7S/c1-3-4-5-18-6-8-19(9-7-18)21(26)17-32-24(27)20-10-11-22(30-2)23(16-20)33(28,29)25-12-14-31-15-13-25/h6-11,16H,3-5,12-15,17H2,1-2H3.
What are the key properties of [2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
[2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 475.56 g/mol, XLogP of 3.10, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 42985506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).