2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide

C23H32N2O3S — CID 92671694

IUPAC2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C23H32N2O3S/c1-16-8-13-21(17(2)14-16)18(3)24-22(26)15-25(29(7,27)28)20-11-9-19(10-12-20)23(4,5)6/h8-14,18H,15H2,1-7H3,(H,24,26)/t18-/m0/s1
InChIKeyBZXQCHWXPMUTER-SFHVURJKSA-N
MW416.59 g/mol
LogP4.24
Rot. Bonds6

About 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide

2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide (PubChem CID 92671694) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
PubChem CID92671694
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C23H32N2O3S/c1-16-8-13-21(17(2)14-16)18(3)24-22(26)15-25(29(7,27)28)20-11-9-19(10-12-20)23(4,5)6/h8-14,18H,15H2,1-7H3,(H,24,26)/t18-/m0/s1
InChIKeyBZXQCHWXPMUTER-SFHVURJKSA-N
XLogP4.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-N-methylsulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43899281
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 28564236
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30254324
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 43895647
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92646225
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30211773
2-(3-bromo-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28632601
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 30248471
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897328
2-(4-bromo-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30219947
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30274731
3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94027139

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide (CID 92671694) is 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is BZXQCHWXPMUTER-SFHVURJKSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-16-8-13-21(17(2)14-16)18(3)24-22(26)15-25(29(7,27)28)20-11-9-19(10-12-20)23(4,5)6/h8-14,18H,15H2,1-7H3,(H,24,26)/t18-/m0/s1.
What are the key properties of 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide?
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 416.59 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 92671694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).