4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide

C18H20ClNO4S — CID 26722725

IUPAC4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H20ClNO4S/c1-13-11-14(19)8-9-17(13)24-10-4-7-18(21)20-15-5-3-6-16(12-15)25(2,22)23/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChIKeyOURJGHNNMTWMOJ-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.85
Rot. Bonds7

About 4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide

4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide (PubChem CID 26722725) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide
PubChem CID26722725
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H20ClNO4S/c1-13-11-14(19)8-9-17(13)24-10-4-7-18(21)20-15-5-3-6-16(12-15)25(2,22)23/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChIKeyOURJGHNNMTWMOJ-UHFFFAOYSA-N
XLogP3.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)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

4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
CID 26580576
N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4174963
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 27334719
4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide
CID 4640199
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
4-(4-chloro-2-methylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide
CID 35978441
4-(4-chloro-2-methylphenoxy)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 55797087
N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
CID 55637724

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide (CID 26722725) is 4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide is Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide?
The InChIKey is OURJGHNNMTWMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-13-11-14(19)8-9-17(13)24-10-4-7-18(21)20-15-5-3-6-16(12-15)25(2,22)23/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide?
4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide has a molecular weight of 381.88 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 26722725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).