2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide

C21H28N2O3S — CID 36612731

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-15(2)18-10-12-19(13-11-18)17(4)22-21(24)14-23(27(5,25)26)20-9-7-6-8-16(20)3/h6-13,15,17H,14H2,1-5H3,(H,22,24)/t17-/m0/s1
InChIKeyXJEFXSACGGPKMD-KRWDZBQOSA-N
MW388.53 g/mol
LogP3.76
Rot. Bonds7

About 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide

2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 36612731) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID36612731
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-15(2)18-10-12-19(13-11-18)17(4)22-21(24)14-23(27(5,25)26)20-9-7-6-8-16(20)3/h6-13,15,17H,14H2,1-5H3,(H,22,24)/t17-/m0/s1
InChIKeyXJEFXSACGGPKMD-KRWDZBQOSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 18143536
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 44828236
2-(2-bromo-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 28633697
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166559
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30303248
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2854471
2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30219626
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92675214
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567894
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165749
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 9367440
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30223744

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide (CID 36612731) is 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide is Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is XJEFXSACGGPKMD-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(2)18-10-12-19(13-11-18)17(4)22-21(24)14-23(27(5,25)26)20-9-7-6-8-16(20)3/h6-13,15,17H,14H2,1-5H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 36612731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).