4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide

C22H27ClN2O6S — CID 4966507

IUPAC4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H27ClN2O6S/c1-16-14-18(6-7-19(16)23)31-11-3-4-22(26)24-17-5-8-20(29-2)21(15-17)32(27,28)25-9-12-30-13-10-25/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,26)
InChIKeyLFCKDKNATZBLGO-UHFFFAOYSA-N
MW482.99 g/mol
LogP3.48
Rot. Bonds9

About 4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 4966507) has the molecular formula C22H27ClN2O6S and a molecular weight of 482.99 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID4966507
Molecular FormulaC22H27ClN2O6S
Molecular Weight482.99 g/mol
Exact Mass482.13
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H27ClN2O6S/c1-16-14-18(6-7-19(16)23)31-11-3-4-22(26)24-17-5-8-20(29-2)21(15-17)32(27,28)25-9-12-30-13-10-25/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,26)
InChIKeyLFCKDKNATZBLGO-UHFFFAOYSA-N
XLogP3.48
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide 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

Bay-1797
CID 124125214
2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3968655
3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 4804187
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 5185087
2-[(4-chlorophenyl)methylamino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;oxalic acid
CID 16244709
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylbutanamide
CID 16246545
3-{4-[(5-chloro-2-methoxyphenyl)sulfonyl]piperazin-1-yl}-N-(4-ethoxyphenyl)propanamide
CID 3238060
2-(2-chloro-5-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125200
2-(2-chlorophenyl)-N-[4-[3-(3-oxomorpholin-4-yl)phenoxy]-3-sulfamoylphenyl]acetamide
CID 124125228
2-(2-chloro-3-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125238
2-(2-chlorophenyl)-N-(4-phenoxy-3-sulfamoylphenyl)acetamide
CID 124125239
2-(2-chlorophenyl)-N-[4-[4-(oxolan-3-yl)phenoxy]-3-sulfamoylphenyl]acetamide
CID 124125244

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide (CID 4966507) is 4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide is COc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is LFCKDKNATZBLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O6S/c1-16-14-18(6-7-19(16)23)31-11-3-4-22(26)24-17-5-8-20(29-2)21(15-17)32(27,28)25-9-12-30-13-10-25/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,26).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 482.99 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 4966507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).