N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide

C24H24ClNO4S — CID 19218621

IUPACN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
SMILESCc1ccc(C)c(N(C(=O)CCCOc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClNO4S/c1-18-10-11-19(2)23(17-18)26(31(28,29)22-14-12-20(25)13-15-22)24(27)9-6-16-30-21-7-4-3-5-8-21/h3-5,7-8,10-15,17H,6,9,16H2,1-2H3
InChIKeyCISULONRRSQBRC-UHFFFAOYSA-N
MW457.98 g/mol
LogP5.54
Rot. Bonds8

About N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide

N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide (PubChem CID 19218621) has the molecular formula C24H24ClNO4S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
PubChem CID19218621
Molecular FormulaC24H24ClNO4S
Molecular Weight457.98 g/mol
Exact Mass457.11
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
SMILESCc1ccc(C)c(N(C(=O)CCCOc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClNO4S/c1-18-10-11-19(2)23(17-18)26(31(28,29)22-14-12-20(25)13-15-22)24(27)9-6-16-30-21-7-4-3-5-8-21/h3-5,7-8,10-15,17H,6,9,16H2,1-2H3
InChIKeyCISULONRRSQBRC-UHFFFAOYSA-N
XLogP5.54
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.98
LogP ≤ 55.54
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-(3-methylphenoxy)butanamide
CID 19218729
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-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19218271
4-(2-bromo-4-ethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)butanamide
CID 19219662
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
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210622
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218726
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide
CID 19218618
4-(4-chloro-3,5-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19219251

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide (CID 19218621) is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide is Cc1ccc(C)c(N(C(=O)CCCOc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide?
The InChIKey is CISULONRRSQBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO4S/c1-18-10-11-19(2)23(17-18)26(31(28,29)22-14-12-20(25)13-15-22)24(27)9-6-16-30-21-7-4-3-5-8-21/h3-5,7-8,10-15,17H,6,9,16H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide?
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide has a molecular weight of 457.98 g/mol, XLogP of 5.54, 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-phenoxybutanamide is sourced from PubChem (CID 19218621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).