N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H24ClFN2O3S — CID 30215711

IUPACN-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccc(Cl)cc2)c2ccccc2F)cc1
InChIInChI=1S/C24H24ClFN2O3S/c1-18-8-14-21(15-9-18)32(30,31)28(23-7-3-2-6-22(23)26)17-24(29)27-16-4-5-19-10-12-20(25)13-11-19/h2-3,6-15H,4-5,16-17H2,1H3,(H,27,29)
InChIKeyZFIOPYFUXAKBNH-UHFFFAOYSA-N
MW474.99 g/mol
LogP4.73
Rot. Bonds9

About N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30215711) has the molecular formula C24H24ClFN2O3S and a molecular weight of 474.99 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID30215711
Molecular FormulaC24H24ClFN2O3S
Molecular Weight474.99 g/mol
Exact Mass474.12
IUPAC NameN-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccc(Cl)cc2)c2ccccc2F)cc1
InChIInChI=1S/C24H24ClFN2O3S/c1-18-8-14-21(15-9-18)32(30,31)28(23-7-3-2-6-22(23)26)17-24(29)27-16-4-5-19-10-12-20(25)13-11-19/h2-3,6-15H,4-5,16-17H2,1H3,(H,27,29)
InChIKeyZFIOPYFUXAKBNH-UHFFFAOYSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-methylphenyl)propyl]acetamide
CID 30271537
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30251563
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30307001
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30209855
N-[3-(4-chlorophenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43898903
N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 50890158
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30210904
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30214045
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344439
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894634
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034633

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 30215711) is N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccc(Cl)cc2)c2ccccc2F)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is ZFIOPYFUXAKBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O3S/c1-18-8-14-21(15-9-18)32(30,31)28(23-7-3-2-6-22(23)26)17-24(29)27-16-4-5-19-10-12-20(25)13-11-19/h2-3,6-15H,4-5,16-17H2,1H3,(H,27,29).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 474.99 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30215711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).