2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide

C24H24ClFN2O4S — CID 43885290

IUPAC2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C24H24ClFN2O4S/c1-16-4-11-21(12-5-16)33(30,31)28(20-10-13-23(32-3)22(25)14-20)15-24(29)27-17(2)18-6-8-19(26)9-7-18/h4-14,17H,15H2,1-3H3,(H,27,29)
InChIKeyPXTWGAQYUFNQHY-UHFFFAOYSA-N
MW490.98 g/mol
LogP4.87
Rot. Bonds8

About 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide

2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 43885290) has the molecular formula C24H24ClFN2O4S and a molecular weight of 490.98 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID43885290
Molecular FormulaC24H24ClFN2O4S
Molecular Weight490.98 g/mol
Exact Mass490.11
IUPAC Name2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C24H24ClFN2O4S/c1-16-4-11-21(12-5-16)33(30,31)28(20-10-13-23(32-3)22(25)14-20)15-24(29)27-17(2)18-6-8-19(26)9-7-18/h4-14,17H,15H2,1-3H3,(H,27,29)
InChIKeyPXTWGAQYUFNQHY-UHFFFAOYSA-N
XLogP4.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.98
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30307440
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43886583
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94864077
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 94012475
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43915286
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401524
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30306189
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30306187
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43894998
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30307425
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100512668

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 43885290) is 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide is COc1ccc(N(CC(=O)NC(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is PXTWGAQYUFNQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O4S/c1-16-4-11-21(12-5-16)33(30,31)28(20-10-13-23(32-3)22(25)14-20)15-24(29)27-17(2)18-6-8-19(26)9-7-18/h4-14,17H,15H2,1-3H3,(H,27,29).
What are the key properties of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 490.98 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 43885290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).