N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C17H28N2O3S — CID 125072566

IUPACN-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-11(2)15(6)18-16(20)10-19(23(7,21)22)17-13(4)8-12(3)9-14(17)5/h8-9,11,15H,10H2,1-7H3,(H,18,20)/t15-/m1/s1
InChIKeyGAGHBIALRSYTEX-OAHLLOKOSA-N
MW340.49 g/mol
LogP2.54
Rot. Bonds6

About N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 125072566) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID125072566
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-11(2)15(6)18-16(20)10-19(23(7,21)22)17-13(4)8-12(3)9-14(17)5/h8-9,11,15H,10H2,1-7H3,(H,18,20)/t15-/m1/s1
InChIKeyGAGHBIALRSYTEX-OAHLLOKOSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563133
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133166319
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125072929
N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30274932
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
CID 100563073
N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30269796
N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 43901431
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 125064538
2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100563222
N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30268728
N,N-dimethyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30256486
N-(3,5-dichlorophenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30261658

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 125072566) is N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is Cc1cc(C)c(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is GAGHBIALRSYTEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-11(2)15(6)18-16(20)10-19(23(7,21)22)17-13(4)8-12(3)9-14(17)5/h8-9,11,15H,10H2,1-7H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 340.49 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 125072566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).