N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide

C20H23F3N2O3S — CID 100547113

IUPACN-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H23F3N2O3S/c1-4-15-5-7-16(8-6-15)14(2)24-19(26)13-25(29(3,27)28)18-11-9-17(10-12-18)20(21,22)23/h5-12,14H,4,13H2,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyAMNAXUJEWRAKMV-CQSZACIVSA-N
MW428.48 g/mol
LogP3.91
Rot. Bonds7

About N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide

N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide (PubChem CID 100547113) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide
PubChem CID100547113
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC NameN-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H23F3N2O3S/c1-4-15-5-7-16(8-6-15)14(2)24-19(26)13-25(29(3,27)28)18-11-9-17(10-12-18)20(21,22)23/h5-12,14H,4,13H2,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyAMNAXUJEWRAKMV-CQSZACIVSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100701915
2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133184692
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133163045
2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154143
N-[1-(4-tert-butylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 132673257
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43916316
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2273018
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166559
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125048959

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide (CID 100547113) is N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide is CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide?
The InChIKey is AMNAXUJEWRAKMV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-4-15-5-7-16(8-6-15)14(2)24-19(26)13-25(29(3,27)28)18-11-9-17(10-12-18)20(21,22)23/h5-12,14H,4,13H2,1-3H3,(H,24,26)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide?
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide has a molecular weight of 428.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 100547113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).