N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide

C20H23ClN2O5S — CID 5185087

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H23ClN2O5S/c21-18-9-8-16(15-19(18)29(25,26)23-10-13-27-14-11-23)22-20(24)7-4-12-28-17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,22,24)
InChIKeyZKSRKEUCFYQGSY-UHFFFAOYSA-N
MW438.93 g/mol
LogP3.16
Rot. Bonds8

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide (PubChem CID 5185087) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
PubChem CID5185087
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H23ClN2O5S/c21-18-9-8-16(15-19(18)29(25,26)23-10-13-27-14-11-23)22-20(24)7-4-12-28-17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,22,24)
InChIKeyZKSRKEUCFYQGSY-UHFFFAOYSA-N
XLogP3.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide 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-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenoxypropanamide
CID 16330715
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 4249919
4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 4966507
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylbutanamide
CID 16246545
N-[4-[4-[3-(2-chlorophenoxy)propyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2954170
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenoxybutanamide
CID 650732
4-{2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethoxy}-N-isopropylbenzenesulfonamide
CID 1319539
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 2333223
N-(4-chlorophenyl)-4-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy]benzenesulfonamide
CID 2987081
2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(4-ethoxyphenyl)acetamide
CID 3241767
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 4276240

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide (CID 5185087) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide?
The InChIKey is ZKSRKEUCFYQGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c21-18-9-8-16(15-19(18)29(25,26)23-10-13-27-14-11-23)22-20(24)7-4-12-28-17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,22,24).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide has a molecular weight of 438.93 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide is sourced from PubChem (CID 5185087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).