N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C21H28N2O3S — CID 30268728

IUPACN-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-14(2)18-9-7-8-10-19(18)22-20(24)13-23(27(6,25)26)21-16(4)11-15(3)12-17(21)5/h7-12,14H,13H2,1-6H3,(H,22,24)
InChIKeyKHMMOTBXOFDYJZ-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.14
Rot. Bonds6

About N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30268728) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID30268728
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-14(2)18-9-7-8-10-19(18)22-20(24)13-23(27(6,25)26)21-16(4)11-15(3)12-17(21)5/h7-12,14H,13H2,1-6H3,(H,22,24)
InChIKeyKHMMOTBXOFDYJZ-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
N-naphthalen-1-yl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30259474
N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30275463
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 126138647
N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113172577
N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30265111
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 2111548
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30268575

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 30268728) is N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is Cc1cc(C)c(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is KHMMOTBXOFDYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-14(2)18-9-7-8-10-19(18)22-20(24)13-23(27(6,25)26)21-16(4)11-15(3)12-17(21)5/h7-12,14H,13H2,1-6H3,(H,22,24).
What are the key properties of N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 388.53 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30268728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).