N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide

C25H26ClNO4S — CID 19218729

IUPACN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H26ClNO4S/c1-18-6-4-7-22(16-18)31-15-5-8-25(28)27(24-17-19(2)9-10-20(24)3)32(29,30)23-13-11-21(26)12-14-23/h4,6-7,9-14,16-17H,5,8,15H2,1-3H3
InChIKeyXXHWTANNMMXARX-UHFFFAOYSA-N
MW472.01 g/mol
LogP5.85
Rot. Bonds8

About N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide

N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide (PubChem CID 19218729) has the molecular formula C25H26ClNO4S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide
PubChem CID19218729
Molecular FormulaC25H26ClNO4S
Molecular Weight472.01 g/mol
Exact Mass471.13
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H26ClNO4S/c1-18-6-4-7-22(16-18)31-15-5-8-25(28)27(24-17-19(2)9-10-20(24)3)32(29,30)23-13-11-21(26)12-14-23/h4,6-7,9-14,16-17H,5,8,15H2,1-3H3
InChIKeyXXHWTANNMMXARX-UHFFFAOYSA-N
XLogP5.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.01
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
CID 19218621
N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 19218656
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide
CID 19210421
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218726
4-(2-bromo-4-ethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)butanamide
CID 19219662
N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218720
4-(4-chloro-3,5-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19219251
2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19212751
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)acetamide
CID 19212848
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19218271
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19217731
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210622

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide (CID 19218729) is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide?
The InChIKey is XXHWTANNMMXARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO4S/c1-18-6-4-7-22(16-18)31-15-5-8-25(28)27(24-17-19(2)9-10-20(24)3)32(29,30)23-13-11-21(26)12-14-23/h4,6-7,9-14,16-17H,5,8,15H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide?
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide has a molecular weight of 472.01 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 19218729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).