N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide

C26H29FN2O4S — CID 30249599

IUPACN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H29FN2O4S/c1-5-33-23-11-9-22(10-12-23)29(34(31,32)24-13-7-21(27)8-14-24)17-26(30)28-20(4)25-15-6-18(2)16-19(25)3/h6-16,20H,5,17H2,1-4H3,(H,28,30)/t20-/m0/s1
InChIKeyAACQSRTVTFPUJE-FQEVSTJZSA-N
MW484.59 g/mol
LogP4.91
Rot. Bonds9

About N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide

N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 30249599) has the molecular formula C26H29FN2O4S and a molecular weight of 484.59 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
PubChem CID30249599
Molecular FormulaC26H29FN2O4S
Molecular Weight484.59 g/mol
Exact Mass484.18
IUPAC NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H29FN2O4S/c1-5-33-23-11-9-22(10-12-23)29(34(31,32)24-13-7-21(27)8-14-24)17-26(30)28-20(4)25-15-6-18(2)16-19(25)3/h6-16,20H,5,17H2,1-4H3,(H,28,30)/t20-/m0/s1
InChIKeyAACQSRTVTFPUJE-FQEVSTJZSA-N
XLogP4.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43896842
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902515
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 43895647
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30211773
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328
N-(2,4-dimethylphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 4041099
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217826
N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 53280294
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43875282
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28574516
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43898778
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 94863870

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide (CID 30249599) is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide is CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is AACQSRTVTFPUJE-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H29FN2O4S/c1-5-33-23-11-9-22(10-12-23)29(34(31,32)24-13-7-21(27)8-14-24)17-26(30)28-20(4)25-15-6-18(2)16-19(25)3/h6-16,20H,5,17H2,1-4H3,(H,28,30)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide?
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide has a molecular weight of 484.59 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30249599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).